SimRNA (c) 2009-2024 Genesilico, ver. 3.33
Replica Exchange Monte Carlo Method is SWITCHED ON
10 replicas were ordered
.reading parameteres
setting random seed = 1
initiating replica nr: 1
before entireStruct->initialize(input)
file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/test-0207f876/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/test-0207f876/inputs/seq.fa: 1
curr_seq: _GGCGCGGCACCGUCCGCGGAACAAACGG_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: GGCGCGGCACCGUCCGCGGAACAAACGG
RNAStructure(struct InputParam): Fraction Of One Atom Moves = 0.450000
RNAStructure(struct InputParam): Fraction Of Two Atoms Moves = 0.440000
RNAStructure(struct InputParam): Fraction Of Fragment Moves = 0.010000
RNAStructure(struct InputParam): Fraction Of Nitrogen Atom Moves = 0.100000
RNAStructure(struct InputParam): Fraction Of Rigid Rotation Moves = 0.000000
RNAStructure(struct InputParam): Fraction Of Rigid Translation Moves = 0.000000
RNA chains:
chain A contains 28 nucleotides
loading histrogram: ./data/rna/dist_PC.data.new_hist assigned_name: dist_PC.data.new_hist DONE
loading histrogram: ./data/rna/dist_CP.data.new_hist assigned_name: dist_CP.data.new_hist DONE
loading histrogram: ./data/rna/angle_PCP.data.new_hist assigned_name: angle_PCP.data.new_hist DONE
loading histrogram: ./data/rna/angle_CPC.data.new_hist assigned_name: angle_CPC.data.new_hist DONE
loading histrogram: ./data/rna/eta_theta.data.new_hist assigned_name: eta_theta.data.new_hist DONE
reweighting term eta_theta by 0.400000, default value
scaling: histogram eta_theta.data.new_hist was multiplied by 0.400000
eta-theta term was reweighted by factor 0.400000 provided by the user
reading conformers file: ./data/rna/A_conformers
n_lines: 4766
16 15 69 34 27
46 26 156 83 35
93 127 1269 89 50
187 157 1927 88 75
51 22 67 25 32
DONE
reading conformers file: ./data/rna/C_conformers
n_lines: 5164
7 8 61 17 4
14 12 143 49 12
23 140 2110 21 24
88 101 2101 19 36
25 21 108 8 12
DONE
reading conformers file: ./data/rna/G_conformers
n_lines: 6375
11 7 79 21 50
20 17 175 54 39
42 102 2774 90 34
61 94 2314 71 100
20 22 142 15 21
DONE
reading conformers file: ./data/rna/U_conformers
n_lines: 3617
6 6 43 33 24
20 20 131 50 28
30 58 1412 30 24
64 82 1197 31 32
71 36 132 13 44
DONE
loading histrogram: ./data/rna/AA3.hist assigned_name: AA3.hist DONE
loading histrogram: ./data/rna/AC3.hist assigned_name: AC3.hist DONE
loading histrogram: ./data/rna/AG3.hist assigned_name: AG3.hist DONE
loading histrogram: ./data/rna/AU3.hist assigned_name: AU3.hist DONE
loading histrogram: ./data/rna/CA3.hist assigned_name: CA3.hist DONE
loading histrogram: ./data/rna/CC3.hist assigned_name: CC3.hist DONE
loading histrogram: ./data/rna/CG3.hist assigned_name: CG3.hist DONE
loading histrogram: ./data/rna/CU3.hist assigned_name: CU3.hist DONE
loading histrogram: ./data/rna/GA3.hist assigned_name: GA3.hist DONE
loading histrogram: ./data/rna/GC3.hist assigned_name: GC3.hist DONE
loading histrogram: ./data/rna/GG3.hist assigned_name: GG3.hist DONE
loading histrogram: ./data/rna/GU3.hist assigned_name: GU3.hist DONE
loading histrogram: ./data/rna/UA3.hist assigned_name: UA3.hist DONE
loading histrogram: ./data/rna/UC3.hist assigned_name: UC3.hist DONE
loading histrogram: ./data/rna/UG3.hist assigned_name: UG3.hist DONE
loading histrogram: ./data/rna/UU3.hist assigned_name: UU3.hist DONE
loading histrogram: ./data/rna/AU3_WW-repulsive.hist assigned_name: AU3_WW-repulsive.hist DONE
scaling: histogram AU3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/CG3_WW-repulsive.hist assigned_name: CG3_WW-repulsive.hist DONE
scaling: histogram CG3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/GC3_WW-repulsive.hist assigned_name: GC3_WW-repulsive.hist DONE
scaling: histogram GC3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/GU3_WW-repulsive.hist assigned_name: GU3_WW-repulsive.hist DONE
scaling: histogram GU3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/UA3_WW-repulsive.hist assigned_name: UA3_WW-repulsive.hist DONE
scaling: histogram UA3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/UG3_WW-repulsive.hist assigned_name: UG3_WW-repulsive.hist DONE
scaling: histogram UG3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/A-C4_3.hist assigned_name: A-C4_3.hist DONE
loading histrogram: ./data/rna/C-C4_3.hist assigned_name: C-C4_3.hist DONE
loading histrogram: ./data/rna/G-C4_3.hist assigned_name: G-C4_3.hist DONE
loading histrogram: ./data/rna/U-C4_3.hist assigned_name: U-C4_3.hist DONE
loading histrogram: ./data/rna/A-P_3.hist assigned_name: A-P_3.hist DONE
loading histrogram: ./data/rna/C-P_3.hist assigned_name: C-P_3.hist DONE
loading histrogram: ./data/rna/G-P_3.hist assigned_name: G-P_3.hist DONE
loading histrogram: ./data/rna/U-P_3.hist assigned_name: U-P_3.hist DONE
loading histrogram: ./data/rna/A_3_exvol.hist assigned_name: A_3_exvol.hist DONE
scaling: histogram A_3_exvol.hist was multiplied by 0.100000
loading histrogram: ./data/rna/C_3_exvol.hist assigned_name: C_3_exvol.hist DONE
scaling: histogram C_3_exvol.hist was multiplied by 0.100000
loading histrogram: ./data/rna/G_3_exvol.hist assigned_name: G_3_exvol.hist DONE
scaling: histogram G_3_exvol.hist was multiplied by 0.100000
loading histrogram: ./data/rna/U_3_exvol.hist assigned_name: U_3_exvol.hist DONE
scaling: histogram U_3_exvol.hist was multiplied by 0.100000
x_protein_frc: 0.000
x_rna_frc: 1.000
int EntireStructure::calcNumberOfAtoms(): numberOfAtoms: 145
n_atoms_counter: 145
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 28.000000 DONE
before calcCenterOfMass();
after calcCenterOfMass();
before calcTotalEnergy();
after calcTotalEnergy();
after entireStruct->initialize(input)
leaving: void SimulatedAnnealing::chooseTypeOfChain(struct InputParam input)
number of iterations = 8000000
trajectory write in every 16000 iterations
after each trajectory write attempt of changing replicas will be done
replica Temperature = 0.900
successfully initiated
initiating replica nr: 2
before entireStruct->initialize(input)
file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/test-0207f876/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/test-0207f876/inputs/seq.fa: 1
curr_seq: _GGCGCGGCACCGUCCGCGGAACAAACGG_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: GGCGCGGCACCGUCCGCGGAACAAACGG
RNAStructure(struct InputParam): Fraction Of One Atom Moves = 0.450000
RNAStructure(struct InputParam): Fraction Of Two Atoms Moves = 0.440000
RNAStructure(struct InputParam): Fraction Of Fragment Moves = 0.010000
RNAStructure(struct InputParam): Fraction Of Nitrogen Atom Moves = 0.100000
RNAStructure(struct InputParam): Fraction Of Rigid Rotation Moves = 0.000000
RNAStructure(struct InputParam): Fraction Of Rigid Translation Moves = 0.000000
RNA chains:
chain A contains 28 nucleotides
loading histrogram: ./data/rna/dist_PC.data.new_hist assigned_name: dist_PC.data.new_hist DONE
loading histrogram: ./data/rna/dist_CP.data.new_hist assigned_name: dist_CP.data.new_hist DONE
loading histrogram: ./data/rna/angle_PCP.data.new_hist assigned_name: angle_PCP.data.new_hist DONE
loading histrogram: ./data/rna/angle_CPC.data.new_hist assigned_name: angle_CPC.data.new_hist DONE
loading histrogram: ./data/rna/eta_theta.data.new_hist assigned_name: eta_theta.data.new_hist DONE
reweighting term eta_theta by 0.400000, default value
scaling: histogram eta_theta.data.new_hist was multiplied by 0.400000
eta-theta term was reweighted by factor 0.400000 provided by the user
reading conformers file: ./data/rna/A_conformers
n_lines: 4766
16 15 69 34 27
46 26 156 83 35
93 127 1269 89 50
187 157 1927 88 75
51 22 67 25 32
DONE
reading conformers file: ./data/rna/C_conformers
n_lines: 5164
7 8 61 17 4
14 12 143 49 12
23 140 2110 21 24
88 101 2101 19 36
25 21 108 8 12
DONE
reading conformers file: ./data/rna/G_conformers
n_lines: 6375
11 7 79 21 50
20 17 175 54 39
42 102 2774 90 34
61 94 2314 71 100
20 22 142 15 21
DONE
reading conformers file: ./data/rna/U_conformers
n_lines: 3617
6 6 43 33 24
20 20 131 50 28
30 58 1412 30 24
64 82 1197 31 32
71 36 132 13 44
DONE
loading histrogram: ./data/rna/AA3.hist assigned_name: AA3.hist DONE
loading histrogram: ./data/rna/AC3.hist assigned_name: AC3.hist DONE
loading histrogram: ./data/rna/AG3.hist assigned_name: AG3.hist DONE
loading histrogram: ./data/rna/AU3.hist assigned_name: AU3.hist DONE
loading histrogram: ./data/rna/CA3.hist assigned_name: CA3.hist DONE
loading histrogram: ./data/rna/CC3.hist assigned_name: CC3.hist DONE
loading histrogram: ./data/rna/CG3.hist assigned_name: CG3.hist DONE
loading histrogram: ./data/rna/CU3.hist assigned_name: CU3.hist DONE
loading histrogram: ./data/rna/GA3.hist assigned_name: GA3.hist DONE
loading histrogram: ./data/rna/GC3.hist assigned_name: GC3.hist DONE
loading histrogram: ./data/rna/GG3.hist assigned_name: GG3.hist DONE
loading histrogram: ./data/rna/GU3.hist assigned_name: GU3.hist DONE
loading histrogram: ./data/rna/UA3.hist assigned_name: UA3.hist DONE
loading histrogram: ./data/rna/UC3.hist assigned_name: UC3.hist DONE
loading histrogram: ./data/rna/UG3.hist assigned_name: UG3.hist DONE
loading histrogram: ./data/rna/UU3.hist assigned_name: UU3.hist DONE
loading histrogram: ./data/rna/AU3_WW-repulsive.hist assigned_name: AU3_WW-repulsive.hist DONE
scaling: histogram AU3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/CG3_WW-repulsive.hist assigned_name: CG3_WW-repulsive.hist DONE
scaling: histogram CG3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/GC3_WW-repulsive.hist assigned_name: GC3_WW-repulsive.hist DONE
scaling: histogram GC3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/GU3_WW-repulsive.hist assigned_name: GU3_WW-repulsive.hist DONE
scaling: histogram GU3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/UA3_WW-repulsive.hist assigned_name: UA3_WW-repulsive.hist DONE
scaling: histogram UA3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/UG3_WW-repulsive.hist assigned_name: UG3_WW-repulsive.hist DONE
scaling: histogram UG3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/A-C4_3.hist assigned_name: A-C4_3.hist DONE
loading histrogram: ./data/rna/C-C4_3.hist assigned_name: C-C4_3.hist DONE
loading histrogram: ./data/rna/G-C4_3.hist assigned_name: G-C4_3.hist DONE
loading histrogram: ./data/rna/U-C4_3.hist assigned_name: U-C4_3.hist DONE
loading histrogram: ./data/rna/A-P_3.hist assigned_name: A-P_3.hist DONE
loading histrogram: ./data/rna/C-P_3.hist assigned_name: C-P_3.hist DONE
loading histrogram: ./data/rna/G-P_3.hist assigned_name: G-P_3.hist DONE
loading histrogram: ./data/rna/U-P_3.hist assigned_name: U-P_3.hist DONE
loading histrogram: ./data/rna/A_3_exvol.hist assigned_name: A_3_exvol.hist DONE
scaling: histogram A_3_exvol.hist was multiplied by 0.100000
loading histrogram: ./data/rna/C_3_exvol.hist assigned_name: C_3_exvol.hist DONE
scaling: histogram C_3_exvol.hist was multiplied by 0.100000
loading histrogram: ./data/rna/G_3_exvol.hist assigned_name: G_3_exvol.hist DONE
scaling: histogram G_3_exvol.hist was multiplied by 0.100000
loading histrogram: ./data/rna/U_3_exvol.hist assigned_name: U_3_exvol.hist DONE
scaling: histogram U_3_exvol.hist was multiplied by 0.100000
x_protein_frc: 0.000
x_rna_frc: 1.000
int EntireStructure::calcNumberOfAtoms(): numberOfAtoms: 145
n_atoms_counter: 145
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 28.000000 DONE
before calcCenterOfMass();
after calcCenterOfMass();
before calcTotalEnergy();
after calcTotalEnergy();
after entireStruct->initialize(input)
leaving: void SimulatedAnnealing::chooseTypeOfChain(struct InputParam input)
number of iterations = 8000000
trajectory write in every 16000 iterations
after each trajectory write attempt of changing replicas will be done
replica Temperature = 0.950
successfully initiated
initiating replica nr: 3
before entireStruct->initialize(input)
file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/test-0207f876/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/test-0207f876/inputs/seq.fa: 1
curr_seq: _GGCGCGGCACCGUCCGCGGAACAAACGG_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: GGCGCGGCACCGUCCGCGGAACAAACGG
RNAStructure(struct InputParam): Fraction Of One Atom Moves = 0.450000
RNAStructure(struct InputParam): Fraction Of Two Atoms Moves = 0.440000
RNAStructure(struct InputParam): Fraction Of Fragment Moves = 0.010000
RNAStructure(struct InputParam): Fraction Of Nitrogen Atom Moves = 0.100000
RNAStructure(struct InputParam): Fraction Of Rigid Rotation Moves = 0.000000
RNAStructure(struct InputParam): Fraction Of Rigid Translation Moves = 0.000000
RNA chains:
chain A contains 28 nucleotides
loading histrogram: ./data/rna/dist_PC.data.new_hist assigned_name: dist_PC.data.new_hist DONE
loading histrogram: ./data/rna/dist_CP.data.new_hist assigned_name: dist_CP.data.new_hist DONE
loading histrogram: ./data/rna/angle_PCP.data.new_hist assigned_name: angle_PCP.data.new_hist DONE
loading histrogram: ./data/rna/angle_CPC.data.new_hist assigned_name: angle_CPC.data.new_hist DONE
loading histrogram: ./data/rna/eta_theta.data.new_hist assigned_name: eta_theta.data.new_hist DONE
reweighting term eta_theta by 0.400000, default value
scaling: histogram eta_theta.data.new_hist was multiplied by 0.400000
eta-theta term was reweighted by factor 0.400000 provided by the user
reading conformers file: ./data/rna/A_conformers
n_lines: 4766
16 15 69 34 27
46 26 156 83 35
93 127 1269 89 50
187 157 1927 88 75
51 22 67 25 32
DONE
reading conformers file: ./data/rna/C_conformers
n_lines: 5164
7 8 61 17 4
14 12 143 49 12
23 140 2110 21 24
88 101 2101 19 36
25 21 108 8 12
DONE
reading conformers file: ./data/rna/G_conformers
n_lines: 6375
11 7 79 21 50
20 17 175 54 39
42 102 2774 90 34
61 94 2314 71 100
20 22 142 15 21
DONE
reading conformers file: ./data/rna/U_conformers
n_lines: 3617
6 6 43 33 24
20 20 131 50 28
30 58 1412 30 24
64 82 1197 31 32
71 36 132 13 44
DONE
loading histrogram: ./data/rna/AA3.hist assigned_name: AA3.hist DONE
loading histrogram: ./data/rna/AC3.hist assigned_name: AC3.hist DONE
loading histrogram: ./data/rna/AG3.hist assigned_name: AG3.hist DONE
loading histrogram: ./data/rna/AU3.hist assigned_name: AU3.hist DONE
loading histrogram: ./data/rna/CA3.hist assigned_name: CA3.hist DONE
loading histrogram: ./data/rna/CC3.hist assigned_name: CC3.hist DONE
loading histrogram: ./data/rna/CG3.hist assigned_name: CG3.hist DONE
loading histrogram: ./data/rna/CU3.hist assigned_name: CU3.hist DONE
loading histrogram: ./data/rna/GA3.hist assigned_name: GA3.hist DONE
loading histrogram: ./data/rna/GC3.hist assigned_name: GC3.hist DONE
loading histrogram: ./data/rna/GG3.hist assigned_name: GG3.hist DONE
loading histrogram: ./data/rna/GU3.hist assigned_name: GU3.hist DONE
loading histrogram: ./data/rna/UA3.hist assigned_name: UA3.hist DONE
loading histrogram: ./data/rna/UC3.hist assigned_name: UC3.hist DONE
loading histrogram: ./data/rna/UG3.hist assigned_name: UG3.hist DONE
loading histrogram: ./data/rna/UU3.hist assigned_name: UU3.hist DONE
loading histrogram: ./data/rna/AU3_WW-repulsive.hist assigned_name: AU3_WW-repulsive.hist DONE
scaling: histogram AU3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/CG3_WW-repulsive.hist assigned_name: CG3_WW-repulsive.hist DONE
scaling: histogram CG3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/GC3_WW-repulsive.hist assigned_name: GC3_WW-repulsive.hist DONE
scaling: histogram GC3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/GU3_WW-repulsive.hist assigned_name: GU3_WW-repulsive.hist DONE
scaling: histogram GU3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/UA3_WW-repulsive.hist assigned_name: UA3_WW-repulsive.hist DONE
scaling: histogram UA3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/UG3_WW-repulsive.hist assigned_name: UG3_WW-repulsive.hist DONE
scaling: histogram UG3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/A-C4_3.hist assigned_name: A-C4_3.hist DONE
loading histrogram: ./data/rna/C-C4_3.hist assigned_name: C-C4_3.hist DONE
loading histrogram: ./data/rna/G-C4_3.hist assigned_name: G-C4_3.hist DONE
loading histrogram: ./data/rna/U-C4_3.hist assigned_name: U-C4_3.hist DONE
loading histrogram: ./data/rna/A-P_3.hist assigned_name: A-P_3.hist DONE
loading histrogram: ./data/rna/C-P_3.hist assigned_name: C-P_3.hist DONE
loading histrogram: ./data/rna/G-P_3.hist assigned_name: G-P_3.hist DONE
loading histrogram: ./data/rna/U-P_3.hist assigned_name: U-P_3.hist DONE
loading histrogram: ./data/rna/A_3_exvol.hist assigned_name: A_3_exvol.hist DONE
scaling: histogram A_3_exvol.hist was multiplied by 0.100000
loading histrogram: ./data/rna/C_3_exvol.hist assigned_name: C_3_exvol.hist DONE
scaling: histogram C_3_exvol.hist was multiplied by 0.100000
loading histrogram: ./data/rna/G_3_exvol.hist assigned_name: G_3_exvol.hist DONE
scaling: histogram G_3_exvol.hist was multiplied by 0.100000
loading histrogram: ./data/rna/U_3_exvol.hist assigned_name: U_3_exvol.hist DONE
scaling: histogram U_3_exvol.hist was multiplied by 0.100000
x_protein_frc: 0.000
x_rna_frc: 1.000
int EntireStructure::calcNumberOfAtoms(): numberOfAtoms: 145
n_atoms_counter: 145
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 28.000000 DONE
before calcCenterOfMass();
after calcCenterOfMass();
before calcTotalEnergy();
after calcTotalEnergy();
after entireStruct->initialize(input)
leaving: void SimulatedAnnealing::chooseTypeOfChain(struct InputParam input)
number of iterations = 8000000
trajectory write in every 16000 iterations
after each trajectory write attempt of changing replicas will be done
replica Temperature = 1.000
successfully initiated
initiating replica nr: 4
before entireStruct->initialize(input)
file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/test-0207f876/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/test-0207f876/inputs/seq.fa: 1
curr_seq: _GGCGCGGCACCGUCCGCGGAACAAACGG_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: GGCGCGGCACCGUCCGCGGAACAAACGG
RNAStructure(struct InputParam): Fraction Of One Atom Moves = 0.450000
RNAStructure(struct InputParam): Fraction Of Two Atoms Moves = 0.440000
RNAStructure(struct InputParam): Fraction Of Fragment Moves = 0.010000
RNAStructure(struct InputParam): Fraction Of Nitrogen Atom Moves = 0.100000
RNAStructure(struct InputParam): Fraction Of Rigid Rotation Moves = 0.000000
RNAStructure(struct InputParam): Fraction Of Rigid Translation Moves = 0.000000
RNA chains:
chain A contains 28 nucleotides
loading histrogram: ./data/rna/dist_PC.data.new_hist assigned_name: dist_PC.data.new_hist DONE
loading histrogram: ./data/rna/dist_CP.data.new_hist assigned_name: dist_CP.data.new_hist DONE
loading histrogram: ./data/rna/angle_PCP.data.new_hist assigned_name: angle_PCP.data.new_hist DONE
loading histrogram: ./data/rna/angle_CPC.data.new_hist assigned_name: angle_CPC.data.new_hist DONE
loading histrogram: ./data/rna/eta_theta.data.new_hist assigned_name: eta_theta.data.new_hist DONE
reweighting term eta_theta by 0.400000, default value
scaling: histogram eta_theta.data.new_hist was multiplied by 0.400000
eta-theta term was reweighted by factor 0.400000 provided by the user
reading conformers file: ./data/rna/A_conformers
n_lines: 4766
16 15 69 34 27
46 26 156 83 35
93 127 1269 89 50
187 157 1927 88 75
51 22 67 25 32
DONE
reading conformers file: ./data/rna/C_conformers
n_lines: 5164
7 8 61 17 4
14 12 143 49 12
23 140 2110 21 24
88 101 2101 19 36
25 21 108 8 12
DONE
reading conformers file: ./data/rna/G_conformers
n_lines: 6375
11 7 79 21 50
20 17 175 54 39
42 102 2774 90 34
61 94 2314 71 100
20 22 142 15 21
DONE
reading conformers file: ./data/rna/U_conformers
n_lines: 3617
6 6 43 33 24
20 20 131 50 28
30 58 1412 30 24
64 82 1197 31 32
71 36 132 13 44
DONE
loading histrogram: ./data/rna/AA3.hist assigned_name: AA3.hist DONE
loading histrogram: ./data/rna/AC3.hist assigned_name: AC3.hist DONE
loading histrogram: ./data/rna/AG3.hist assigned_name: AG3.hist DONE
loading histrogram: ./data/rna/AU3.hist assigned_name: AU3.hist DONE
loading histrogram: ./data/rna/CA3.hist assigned_name: CA3.hist DONE
loading histrogram: ./data/rna/CC3.hist assigned_name: CC3.hist DONE
loading histrogram: ./data/rna/CG3.hist assigned_name: CG3.hist DONE
loading histrogram: ./data/rna/CU3.hist assigned_name: CU3.hist DONE
loading histrogram: ./data/rna/GA3.hist assigned_name: GA3.hist DONE
loading histrogram: ./data/rna/GC3.hist assigned_name: GC3.hist DONE
loading histrogram: ./data/rna/GG3.hist assigned_name: GG3.hist DONE
loading histrogram: ./data/rna/GU3.hist assigned_name: GU3.hist DONE
loading histrogram: ./data/rna/UA3.hist assigned_name: UA3.hist DONE
loading histrogram: ./data/rna/UC3.hist assigned_name: UC3.hist DONE
loading histrogram: ./data/rna/UG3.hist assigned_name: UG3.hist DONE
loading histrogram: ./data/rna/UU3.hist assigned_name: UU3.hist DONE
loading histrogram: ./data/rna/AU3_WW-repulsive.hist assigned_name: AU3_WW-repulsive.hist DONE
scaling: histogram AU3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/CG3_WW-repulsive.hist assigned_name: CG3_WW-repulsive.hist DONE
scaling: histogram CG3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/GC3_WW-repulsive.hist assigned_name: GC3_WW-repulsive.hist DONE
scaling: histogram GC3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/GU3_WW-repulsive.hist assigned_name: GU3_WW-repulsive.hist DONE
scaling: histogram GU3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/UA3_WW-repulsive.hist assigned_name: UA3_WW-repulsive.hist DONE
scaling: histogram UA3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/UG3_WW-repulsive.hist assigned_name: UG3_WW-repulsive.hist DONE
scaling: histogram UG3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/A-C4_3.hist assigned_name: A-C4_3.hist DONE
loading histrogram: ./data/rna/C-C4_3.hist assigned_name: C-C4_3.hist DONE
loading histrogram: ./data/rna/G-C4_3.hist assigned_name: G-C4_3.hist DONE
loading histrogram: ./data/rna/U-C4_3.hist assigned_name: U-C4_3.hist DONE
loading histrogram: ./data/rna/A-P_3.hist assigned_name: A-P_3.hist DONE
loading histrogram: ./data/rna/C-P_3.hist assigned_name: C-P_3.hist DONE
loading histrogram: ./data/rna/G-P_3.hist assigned_name: G-P_3.hist DONE
loading histrogram: ./data/rna/U-P_3.hist assigned_name: U-P_3.hist DONE
loading histrogram: ./data/rna/A_3_exvol.hist assigned_name: A_3_exvol.hist DONE
scaling: histogram A_3_exvol.hist was multiplied by 0.100000
loading histrogram: ./data/rna/C_3_exvol.hist assigned_name: C_3_exvol.hist DONE
scaling: histogram C_3_exvol.hist was multiplied by 0.100000
loading histrogram: ./data/rna/G_3_exvol.hist assigned_name: G_3_exvol.hist DONE
scaling: histogram G_3_exvol.hist was multiplied by 0.100000
loading histrogram: ./data/rna/U_3_exvol.hist assigned_name: U_3_exvol.hist DONE
scaling: histogram U_3_exvol.hist was multiplied by 0.100000
x_protein_frc: 0.000
x_rna_frc: 1.000
int EntireStructure::calcNumberOfAtoms(): numberOfAtoms: 145
n_atoms_counter: 145
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 28.000000 DONE
before calcCenterOfMass();
after calcCenterOfMass();
before calcTotalEnergy();
after calcTotalEnergy();
after entireStruct->initialize(input)
leaving: void SimulatedAnnealing::chooseTypeOfChain(struct InputParam input)
number of iterations = 8000000
trajectory write in every 16000 iterations
after each trajectory write attempt of changing replicas will be done
replica Temperature = 1.050
successfully initiated
initiating replica nr: 5
before entireStruct->initialize(input)
file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/test-0207f876/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/test-0207f876/inputs/seq.fa: 1
curr_seq: _GGCGCGGCACCGUCCGCGGAACAAACGG_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: GGCGCGGCACCGUCCGCGGAACAAACGG
RNAStructure(struct InputParam): Fraction Of One Atom Moves = 0.450000
RNAStructure(struct InputParam): Fraction Of Two Atoms Moves = 0.440000
RNAStructure(struct InputParam): Fraction Of Fragment Moves = 0.010000
RNAStructure(struct InputParam): Fraction Of Nitrogen Atom Moves = 0.100000
RNAStructure(struct InputParam): Fraction Of Rigid Rotation Moves = 0.000000
RNAStructure(struct InputParam): Fraction Of Rigid Translation Moves = 0.000000
RNA chains:
chain A contains 28 nucleotides
loading histrogram: ./data/rna/dist_PC.data.new_hist assigned_name: dist_PC.data.new_hist DONE
loading histrogram: ./data/rna/dist_CP.data.new_hist assigned_name: dist_CP.data.new_hist DONE
loading histrogram: ./data/rna/angle_PCP.data.new_hist assigned_name: angle_PCP.data.new_hist DONE
loading histrogram: ./data/rna/angle_CPC.data.new_hist assigned_name: angle_CPC.data.new_hist DONE
loading histrogram: ./data/rna/eta_theta.data.new_hist assigned_name: eta_theta.data.new_hist DONE
reweighting term eta_theta by 0.400000, default value
scaling: histogram eta_theta.data.new_hist was multiplied by 0.400000
eta-theta term was reweighted by factor 0.400000 provided by the user
reading conformers file: ./data/rna/A_conformers
n_lines: 4766
16 15 69 34 27
46 26 156 83 35
93 127 1269 89 50
187 157 1927 88 75
51 22 67 25 32
DONE
reading conformers file: ./data/rna/C_conformers
n_lines: 5164
7 8 61 17 4
14 12 143 49 12
23 140 2110 21 24
88 101 2101 19 36
25 21 108 8 12
DONE
reading conformers file: ./data/rna/G_conformers
n_lines: 6375
11 7 79 21 50
20 17 175 54 39
42 102 2774 90 34
61 94 2314 71 100
20 22 142 15 21
DONE
reading conformers file: ./data/rna/U_conformers
n_lines: 3617
6 6 43 33 24
20 20 131 50 28
30 58 1412 30 24
64 82 1197 31 32
71 36 132 13 44
DONE
loading histrogram: ./data/rna/AA3.hist assigned_name: AA3.hist DONE
loading histrogram: ./data/rna/AC3.hist assigned_name: AC3.hist DONE
loading histrogram: ./data/rna/AG3.hist assigned_name: AG3.hist DONE
loading histrogram: ./data/rna/AU3.hist assigned_name: AU3.hist DONE
loading histrogram: ./data/rna/CA3.hist assigned_name: CA3.hist DONE
loading histrogram: ./data/rna/CC3.hist assigned_name: CC3.hist DONE
loading histrogram: ./data/rna/CG3.hist assigned_name: CG3.hist DONE
loading histrogram: ./data/rna/CU3.hist assigned_name: CU3.hist DONE
loading histrogram: ./data/rna/GA3.hist assigned_name: GA3.hist DONE
loading histrogram: ./data/rna/GC3.hist assigned_name: GC3.hist DONE
loading histrogram: ./data/rna/GG3.hist assigned_name: GG3.hist DONE
loading histrogram: ./data/rna/GU3.hist assigned_name: GU3.hist DONE
loading histrogram: ./data/rna/UA3.hist assigned_name: UA3.hist DONE
loading histrogram: ./data/rna/UC3.hist assigned_name: UC3.hist DONE
loading histrogram: ./data/rna/UG3.hist assigned_name: UG3.hist DONE
loading histrogram: ./data/rna/UU3.hist assigned_name: UU3.hist DONE
loading histrogram: ./data/rna/AU3_WW-repulsive.hist assigned_name: AU3_WW-repulsive.hist DONE
scaling: histogram AU3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/CG3_WW-repulsive.hist assigned_name: CG3_WW-repulsive.hist DONE
scaling: histogram CG3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/GC3_WW-repulsive.hist assigned_name: GC3_WW-repulsive.hist DONE
scaling: histogram GC3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/GU3_WW-repulsive.hist assigned_name: GU3_WW-repulsive.hist DONE
scaling: histogram GU3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/UA3_WW-repulsive.hist assigned_name: UA3_WW-repulsive.hist DONE
scaling: histogram UA3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/UG3_WW-repulsive.hist assigned_name: UG3_WW-repulsive.hist DONE
scaling: histogram UG3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/A-C4_3.hist assigned_name: A-C4_3.hist DONE
loading histrogram: ./data/rna/C-C4_3.hist assigned_name: C-C4_3.hist DONE
loading histrogram: ./data/rna/G-C4_3.hist assigned_name: G-C4_3.hist DONE
loading histrogram: ./data/rna/U-C4_3.hist assigned_name: U-C4_3.hist DONE
loading histrogram: ./data/rna/A-P_3.hist assigned_name: A-P_3.hist DONE
loading histrogram: ./data/rna/C-P_3.hist assigned_name: C-P_3.hist DONE
loading histrogram: ./data/rna/G-P_3.hist assigned_name: G-P_3.hist DONE
loading histrogram: ./data/rna/U-P_3.hist assigned_name: U-P_3.hist DONE
loading histrogram: ./data/rna/A_3_exvol.hist assigned_name: A_3_exvol.hist DONE
scaling: histogram A_3_exvol.hist was multiplied by 0.100000
loading histrogram: ./data/rna/C_3_exvol.hist assigned_name: C_3_exvol.hist DONE
scaling: histogram C_3_exvol.hist was multiplied by 0.100000
loading histrogram: ./data/rna/G_3_exvol.hist assigned_name: G_3_exvol.hist DONE
scaling: histogram G_3_exvol.hist was multiplied by 0.100000
loading histrogram: ./data/rna/U_3_exvol.hist assigned_name: U_3_exvol.hist DONE
scaling: histogram U_3_exvol.hist was multiplied by 0.100000
x_protein_frc: 0.000
x_rna_frc: 1.000
int EntireStructure::calcNumberOfAtoms(): numberOfAtoms: 145
n_atoms_counter: 145
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 28.000000 DONE
before calcCenterOfMass();
after calcCenterOfMass();
before calcTotalEnergy();
after calcTotalEnergy();
after entireStruct->initialize(input)
leaving: void SimulatedAnnealing::chooseTypeOfChain(struct InputParam input)
number of iterations = 8000000
trajectory write in every 16000 iterations
after each trajectory write attempt of changing replicas will be done
replica Temperature = 1.100
successfully initiated
initiating replica nr: 6
before entireStruct->initialize(input)
file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/test-0207f876/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/test-0207f876/inputs/seq.fa: 1
curr_seq: _GGCGCGGCACCGUCCGCGGAACAAACGG_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: GGCGCGGCACCGUCCGCGGAACAAACGG
RNAStructure(struct InputParam): Fraction Of One Atom Moves = 0.450000
RNAStructure(struct InputParam): Fraction Of Two Atoms Moves = 0.440000
RNAStructure(struct InputParam): Fraction Of Fragment Moves = 0.010000
RNAStructure(struct InputParam): Fraction Of Nitrogen Atom Moves = 0.100000
RNAStructure(struct InputParam): Fraction Of Rigid Rotation Moves = 0.000000
RNAStructure(struct InputParam): Fraction Of Rigid Translation Moves = 0.000000
RNA chains:
chain A contains 28 nucleotides
loading histrogram: ./data/rna/dist_PC.data.new_hist assigned_name: dist_PC.data.new_hist DONE
loading histrogram: ./data/rna/dist_CP.data.new_hist assigned_name: dist_CP.data.new_hist DONE
loading histrogram: ./data/rna/angle_PCP.data.new_hist assigned_name: angle_PCP.data.new_hist DONE
loading histrogram: ./data/rna/angle_CPC.data.new_hist assigned_name: angle_CPC.data.new_hist DONE
loading histrogram: ./data/rna/eta_theta.data.new_hist assigned_name: eta_theta.data.new_hist DONE
reweighting term eta_theta by 0.400000, default value
scaling: histogram eta_theta.data.new_hist was multiplied by 0.400000
eta-theta term was reweighted by factor 0.400000 provided by the user
reading conformers file: ./data/rna/A_conformers
n_lines: 4766
16 15 69 34 27
46 26 156 83 35
93 127 1269 89 50
187 157 1927 88 75
51 22 67 25 32
DONE
reading conformers file: ./data/rna/C_conformers
n_lines: 5164
7 8 61 17 4
14 12 143 49 12
23 140 2110 21 24
88 101 2101 19 36
25 21 108 8 12
DONE
reading conformers file: ./data/rna/G_conformers
n_lines: 6375
11 7 79 21 50
20 17 175 54 39
42 102 2774 90 34
61 94 2314 71 100
20 22 142 15 21
DONE
reading conformers file: ./data/rna/U_conformers
n_lines: 3617
6 6 43 33 24
20 20 131 50 28
30 58 1412 30 24
64 82 1197 31 32
71 36 132 13 44
DONE
loading histrogram: ./data/rna/AA3.hist assigned_name: AA3.hist DONE
loading histrogram: ./data/rna/AC3.hist assigned_name: AC3.hist DONE
loading histrogram: ./data/rna/AG3.hist assigned_name: AG3.hist DONE
loading histrogram: ./data/rna/AU3.hist assigned_name: AU3.hist DONE
loading histrogram: ./data/rna/CA3.hist assigned_name: CA3.hist DONE
loading histrogram: ./data/rna/CC3.hist assigned_name: CC3.hist DONE
loading histrogram: ./data/rna/CG3.hist assigned_name: CG3.hist DONE
loading histrogram: ./data/rna/CU3.hist assigned_name: CU3.hist DONE
loading histrogram: ./data/rna/GA3.hist assigned_name: GA3.hist DONE
loading histrogram: ./data/rna/GC3.hist assigned_name: GC3.hist DONE
loading histrogram: ./data/rna/GG3.hist assigned_name: GG3.hist DONE
loading histrogram: ./data/rna/GU3.hist assigned_name: GU3.hist DONE
loading histrogram: ./data/rna/UA3.hist assigned_name: UA3.hist DONE
loading histrogram: ./data/rna/UC3.hist assigned_name: UC3.hist DONE
loading histrogram: ./data/rna/UG3.hist assigned_name: UG3.hist DONE
loading histrogram: ./data/rna/UU3.hist assigned_name: UU3.hist DONE
loading histrogram: ./data/rna/AU3_WW-repulsive.hist assigned_name: AU3_WW-repulsive.hist DONE
scaling: histogram AU3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/CG3_WW-repulsive.hist assigned_name: CG3_WW-repulsive.hist DONE
scaling: histogram CG3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/GC3_WW-repulsive.hist assigned_name: GC3_WW-repulsive.hist DONE
scaling: histogram GC3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/GU3_WW-repulsive.hist assigned_name: GU3_WW-repulsive.hist DONE
scaling: histogram GU3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/UA3_WW-repulsive.hist assigned_name: UA3_WW-repulsive.hist DONE
scaling: histogram UA3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/UG3_WW-repulsive.hist assigned_name: UG3_WW-repulsive.hist DONE
scaling: histogram UG3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/A-C4_3.hist assigned_name: A-C4_3.hist DONE
loading histrogram: ./data/rna/C-C4_3.hist assigned_name: C-C4_3.hist DONE
loading histrogram: ./data/rna/G-C4_3.hist assigned_name: G-C4_3.hist DONE
loading histrogram: ./data/rna/U-C4_3.hist assigned_name: U-C4_3.hist DONE
loading histrogram: ./data/rna/A-P_3.hist assigned_name: A-P_3.hist DONE
loading histrogram: ./data/rna/C-P_3.hist assigned_name: C-P_3.hist DONE
loading histrogram: ./data/rna/G-P_3.hist assigned_name: G-P_3.hist DONE
loading histrogram: ./data/rna/U-P_3.hist assigned_name: U-P_3.hist DONE
loading histrogram: ./data/rna/A_3_exvol.hist assigned_name: A_3_exvol.hist DONE
scaling: histogram A_3_exvol.hist was multiplied by 0.100000
loading histrogram: ./data/rna/C_3_exvol.hist assigned_name: C_3_exvol.hist DONE
scaling: histogram C_3_exvol.hist was multiplied by 0.100000
loading histrogram: ./data/rna/G_3_exvol.hist assigned_name: G_3_exvol.hist DONE
scaling: histogram G_3_exvol.hist was multiplied by 0.100000
loading histrogram: ./data/rna/U_3_exvol.hist assigned_name: U_3_exvol.hist DONE
scaling: histogram U_3_exvol.hist was multiplied by 0.100000
x_protein_frc: 0.000
x_rna_frc: 1.000
int EntireStructure::calcNumberOfAtoms(): numberOfAtoms: 145
n_atoms_counter: 145
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 28.000000 DONE
before calcCenterOfMass();
after calcCenterOfMass();
before calcTotalEnergy();
after calcTotalEnergy();
after entireStruct->initialize(input)
leaving: void SimulatedAnnealing::chooseTypeOfChain(struct InputParam input)
number of iterations = 8000000
trajectory write in every 16000 iterations
after each trajectory write attempt of changing replicas will be done
replica Temperature = 1.150
successfully initiated
initiating replica nr: 7
before entireStruct->initialize(input)
file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/test-0207f876/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/test-0207f876/inputs/seq.fa: 1
curr_seq: _GGCGCGGCACCGUCCGCGGAACAAACGG_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: GGCGCGGCACCGUCCGCGGAACAAACGG
RNAStructure(struct InputParam): Fraction Of One Atom Moves = 0.450000
RNAStructure(struct InputParam): Fraction Of Two Atoms Moves = 0.440000
RNAStructure(struct InputParam): Fraction Of Fragment Moves = 0.010000
RNAStructure(struct InputParam): Fraction Of Nitrogen Atom Moves = 0.100000
RNAStructure(struct InputParam): Fraction Of Rigid Rotation Moves = 0.000000
RNAStructure(struct InputParam): Fraction Of Rigid Translation Moves = 0.000000
RNA chains:
chain A contains 28 nucleotides
loading histrogram: ./data/rna/dist_PC.data.new_hist assigned_name: dist_PC.data.new_hist DONE
loading histrogram: ./data/rna/dist_CP.data.new_hist assigned_name: dist_CP.data.new_hist DONE
loading histrogram: ./data/rna/angle_PCP.data.new_hist assigned_name: angle_PCP.data.new_hist DONE
loading histrogram: ./data/rna/angle_CPC.data.new_hist assigned_name: angle_CPC.data.new_hist DONE
loading histrogram: ./data/rna/eta_theta.data.new_hist assigned_name: eta_theta.data.new_hist DONE
reweighting term eta_theta by 0.400000, default value
scaling: histogram eta_theta.data.new_hist was multiplied by 0.400000
eta-theta term was reweighted by factor 0.400000 provided by the user
reading conformers file: ./data/rna/A_conformers
n_lines: 4766
16 15 69 34 27
46 26 156 83 35
93 127 1269 89 50
187 157 1927 88 75
51 22 67 25 32
DONE
reading conformers file: ./data/rna/C_conformers
n_lines: 5164
7 8 61 17 4
14 12 143 49 12
23 140 2110 21 24
88 101 2101 19 36
25 21 108 8 12
DONE
reading conformers file: ./data/rna/G_conformers
n_lines: 6375
11 7 79 21 50
20 17 175 54 39
42 102 2774 90 34
61 94 2314 71 100
20 22 142 15 21
DONE
reading conformers file: ./data/rna/U_conformers
n_lines: 3617
6 6 43 33 24
20 20 131 50 28
30 58 1412 30 24
64 82 1197 31 32
71 36 132 13 44
DONE
loading histrogram: ./data/rna/AA3.hist assigned_name: AA3.hist DONE
loading histrogram: ./data/rna/AC3.hist assigned_name: AC3.hist DONE
loading histrogram: ./data/rna/AG3.hist assigned_name: AG3.hist DONE
loading histrogram: ./data/rna/AU3.hist assigned_name: AU3.hist DONE
loading histrogram: ./data/rna/CA3.hist assigned_name: CA3.hist DONE
loading histrogram: ./data/rna/CC3.hist assigned_name: CC3.hist DONE
loading histrogram: ./data/rna/CG3.hist assigned_name: CG3.hist DONE
loading histrogram: ./data/rna/CU3.hist assigned_name: CU3.hist DONE
loading histrogram: ./data/rna/GA3.hist assigned_name: GA3.hist DONE
loading histrogram: ./data/rna/GC3.hist assigned_name: GC3.hist DONE
loading histrogram: ./data/rna/GG3.hist assigned_name: GG3.hist DONE
loading histrogram: ./data/rna/GU3.hist assigned_name: GU3.hist DONE
loading histrogram: ./data/rna/UA3.hist assigned_name: UA3.hist DONE
loading histrogram: ./data/rna/UC3.hist assigned_name: UC3.hist DONE
loading histrogram: ./data/rna/UG3.hist assigned_name: UG3.hist DONE
loading histrogram: ./data/rna/UU3.hist assigned_name: UU3.hist DONE
loading histrogram: ./data/rna/AU3_WW-repulsive.hist assigned_name: AU3_WW-repulsive.hist DONE
scaling: histogram AU3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/CG3_WW-repulsive.hist assigned_name: CG3_WW-repulsive.hist DONE
scaling: histogram CG3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/GC3_WW-repulsive.hist assigned_name: GC3_WW-repulsive.hist DONE
scaling: histogram GC3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/GU3_WW-repulsive.hist assigned_name: GU3_WW-repulsive.hist DONE
scaling: histogram GU3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/UA3_WW-repulsive.hist assigned_name: UA3_WW-repulsive.hist DONE
scaling: histogram UA3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/UG3_WW-repulsive.hist assigned_name: UG3_WW-repulsive.hist DONE
scaling: histogram UG3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/A-C4_3.hist assigned_name: A-C4_3.hist DONE
loading histrogram: ./data/rna/C-C4_3.hist assigned_name: C-C4_3.hist DONE
loading histrogram: ./data/rna/G-C4_3.hist assigned_name: G-C4_3.hist DONE
loading histrogram: ./data/rna/U-C4_3.hist assigned_name: U-C4_3.hist DONE
loading histrogram: ./data/rna/A-P_3.hist assigned_name: A-P_3.hist DONE
loading histrogram: ./data/rna/C-P_3.hist assigned_name: C-P_3.hist DONE
loading histrogram: ./data/rna/G-P_3.hist assigned_name: G-P_3.hist DONE
loading histrogram: ./data/rna/U-P_3.hist assigned_name: U-P_3.hist DONE
loading histrogram: ./data/rna/A_3_exvol.hist assigned_name: A_3_exvol.hist DONE
scaling: histogram A_3_exvol.hist was multiplied by 0.100000
loading histrogram: ./data/rna/C_3_exvol.hist assigned_name: C_3_exvol.hist DONE
scaling: histogram C_3_exvol.hist was multiplied by 0.100000
loading histrogram: ./data/rna/G_3_exvol.hist assigned_name: G_3_exvol.hist DONE
scaling: histogram G_3_exvol.hist was multiplied by 0.100000
loading histrogram: ./data/rna/U_3_exvol.hist assigned_name: U_3_exvol.hist DONE
scaling: histogram U_3_exvol.hist was multiplied by 0.100000
x_protein_frc: 0.000
x_rna_frc: 1.000
int EntireStructure::calcNumberOfAtoms(): numberOfAtoms: 145
n_atoms_counter: 145
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 28.000000 DONE
before calcCenterOfMass();
after calcCenterOfMass();
before calcTotalEnergy();
after calcTotalEnergy();
after entireStruct->initialize(input)
leaving: void SimulatedAnnealing::chooseTypeOfChain(struct InputParam input)
number of iterations = 8000000
trajectory write in every 16000 iterations
after each trajectory write attempt of changing replicas will be done
replica Temperature = 1.200
successfully initiated
initiating replica nr: 8
before entireStruct->initialize(input)
file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/test-0207f876/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/test-0207f876/inputs/seq.fa: 1
curr_seq: _GGCGCGGCACCGUCCGCGGAACAAACGG_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: GGCGCGGCACCGUCCGCGGAACAAACGG
RNAStructure(struct InputParam): Fraction Of One Atom Moves = 0.450000
RNAStructure(struct InputParam): Fraction Of Two Atoms Moves = 0.440000
RNAStructure(struct InputParam): Fraction Of Fragment Moves = 0.010000
RNAStructure(struct InputParam): Fraction Of Nitrogen Atom Moves = 0.100000
RNAStructure(struct InputParam): Fraction Of Rigid Rotation Moves = 0.000000
RNAStructure(struct InputParam): Fraction Of Rigid Translation Moves = 0.000000
RNA chains:
chain A contains 28 nucleotides
loading histrogram: ./data/rna/dist_PC.data.new_hist assigned_name: dist_PC.data.new_hist DONE
loading histrogram: ./data/rna/dist_CP.data.new_hist assigned_name: dist_CP.data.new_hist DONE
loading histrogram: ./data/rna/angle_PCP.data.new_hist assigned_name: angle_PCP.data.new_hist DONE
loading histrogram: ./data/rna/angle_CPC.data.new_hist assigned_name: angle_CPC.data.new_hist DONE
loading histrogram: ./data/rna/eta_theta.data.new_hist assigned_name: eta_theta.data.new_hist DONE
reweighting term eta_theta by 0.400000, default value
scaling: histogram eta_theta.data.new_hist was multiplied by 0.400000
eta-theta term was reweighted by factor 0.400000 provided by the user
reading conformers file: ./data/rna/A_conformers
n_lines: 4766
16 15 69 34 27
46 26 156 83 35
93 127 1269 89 50
187 157 1927 88 75
51 22 67 25 32
DONE
reading conformers file: ./data/rna/C_conformers
n_lines: 5164
7 8 61 17 4
14 12 143 49 12
23 140 2110 21 24
88 101 2101 19 36
25 21 108 8 12
DONE
reading conformers file: ./data/rna/G_conformers
n_lines: 6375
11 7 79 21 50
20 17 175 54 39
42 102 2774 90 34
61 94 2314 71 100
20 22 142 15 21
DONE
reading conformers file: ./data/rna/U_conformers
n_lines: 3617
6 6 43 33 24
20 20 131 50 28
30 58 1412 30 24
64 82 1197 31 32
71 36 132 13 44
DONE
loading histrogram: ./data/rna/AA3.hist assigned_name: AA3.hist DONE
loading histrogram: ./data/rna/AC3.hist assigned_name: AC3.hist DONE
loading histrogram: ./data/rna/AG3.hist assigned_name: AG3.hist DONE
loading histrogram: ./data/rna/AU3.hist assigned_name: AU3.hist DONE
loading histrogram: ./data/rna/CA3.hist assigned_name: CA3.hist DONE
loading histrogram: ./data/rna/CC3.hist assigned_name: CC3.hist DONE
loading histrogram: ./data/rna/CG3.hist assigned_name: CG3.hist DONE
loading histrogram: ./data/rna/CU3.hist assigned_name: CU3.hist DONE
loading histrogram: ./data/rna/GA3.hist assigned_name: GA3.hist DONE
loading histrogram: ./data/rna/GC3.hist assigned_name: GC3.hist DONE
loading histrogram: ./data/rna/GG3.hist assigned_name: GG3.hist DONE
loading histrogram: ./data/rna/GU3.hist assigned_name: GU3.hist DONE
loading histrogram: ./data/rna/UA3.hist assigned_name: UA3.hist DONE
loading histrogram: ./data/rna/UC3.hist assigned_name: UC3.hist DONE
loading histrogram: ./data/rna/UG3.hist assigned_name: UG3.hist DONE
loading histrogram: ./data/rna/UU3.hist assigned_name: UU3.hist DONE
loading histrogram: ./data/rna/AU3_WW-repulsive.hist assigned_name: AU3_WW-repulsive.hist DONE
scaling: histogram AU3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/CG3_WW-repulsive.hist assigned_name: CG3_WW-repulsive.hist DONE
scaling: histogram CG3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/GC3_WW-repulsive.hist assigned_name: GC3_WW-repulsive.hist DONE
scaling: histogram GC3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/GU3_WW-repulsive.hist assigned_name: GU3_WW-repulsive.hist DONE
scaling: histogram GU3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/UA3_WW-repulsive.hist assigned_name: UA3_WW-repulsive.hist DONE
scaling: histogram UA3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/UG3_WW-repulsive.hist assigned_name: UG3_WW-repulsive.hist DONE
scaling: histogram UG3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/A-C4_3.hist assigned_name: A-C4_3.hist DONE
loading histrogram: ./data/rna/C-C4_3.hist assigned_name: C-C4_3.hist DONE
loading histrogram: ./data/rna/G-C4_3.hist assigned_name: G-C4_3.hist DONE
loading histrogram: ./data/rna/U-C4_3.hist assigned_name: U-C4_3.hist DONE
loading histrogram: ./data/rna/A-P_3.hist assigned_name: A-P_3.hist DONE
loading histrogram: ./data/rna/C-P_3.hist assigned_name: C-P_3.hist DONE
loading histrogram: ./data/rna/G-P_3.hist assigned_name: G-P_3.hist DONE
loading histrogram: ./data/rna/U-P_3.hist assigned_name: U-P_3.hist DONE
loading histrogram: ./data/rna/A_3_exvol.hist assigned_name: A_3_exvol.hist DONE
scaling: histogram A_3_exvol.hist was multiplied by 0.100000
loading histrogram: ./data/rna/C_3_exvol.hist assigned_name: C_3_exvol.hist DONE
scaling: histogram C_3_exvol.hist was multiplied by 0.100000
loading histrogram: ./data/rna/G_3_exvol.hist assigned_name: G_3_exvol.hist DONE
scaling: histogram G_3_exvol.hist was multiplied by 0.100000
loading histrogram: ./data/rna/U_3_exvol.hist assigned_name: U_3_exvol.hist DONE
scaling: histogram U_3_exvol.hist was multiplied by 0.100000
x_protein_frc: 0.000
x_rna_frc: 1.000
int EntireStructure::calcNumberOfAtoms(): numberOfAtoms: 145
n_atoms_counter: 145
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 28.000000 DONE
before calcCenterOfMass();
after calcCenterOfMass();
before calcTotalEnergy();
after calcTotalEnergy();
after entireStruct->initialize(input)
leaving: void SimulatedAnnealing::chooseTypeOfChain(struct InputParam input)
number of iterations = 8000000
trajectory write in every 16000 iterations
after each trajectory write attempt of changing replicas will be done
replica Temperature = 1.250
successfully initiated
initiating replica nr: 9
before entireStruct->initialize(input)
file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/test-0207f876/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/test-0207f876/inputs/seq.fa: 1
curr_seq: _GGCGCGGCACCGUCCGCGGAACAAACGG_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: GGCGCGGCACCGUCCGCGGAACAAACGG
RNAStructure(struct InputParam): Fraction Of One Atom Moves = 0.450000
RNAStructure(struct InputParam): Fraction Of Two Atoms Moves = 0.440000
RNAStructure(struct InputParam): Fraction Of Fragment Moves = 0.010000
RNAStructure(struct InputParam): Fraction Of Nitrogen Atom Moves = 0.100000
RNAStructure(struct InputParam): Fraction Of Rigid Rotation Moves = 0.000000
RNAStructure(struct InputParam): Fraction Of Rigid Translation Moves = 0.000000
RNA chains:
chain A contains 28 nucleotides
loading histrogram: ./data/rna/dist_PC.data.new_hist assigned_name: dist_PC.data.new_hist DONE
loading histrogram: ./data/rna/dist_CP.data.new_hist assigned_name: dist_CP.data.new_hist DONE
loading histrogram: ./data/rna/angle_PCP.data.new_hist assigned_name: angle_PCP.data.new_hist DONE
loading histrogram: ./data/rna/angle_CPC.data.new_hist assigned_name: angle_CPC.data.new_hist DONE
loading histrogram: ./data/rna/eta_theta.data.new_hist assigned_name: eta_theta.data.new_hist DONE
reweighting term eta_theta by 0.400000, default value
scaling: histogram eta_theta.data.new_hist was multiplied by 0.400000
eta-theta term was reweighted by factor 0.400000 provided by the user
reading conformers file: ./data/rna/A_conformers
n_lines: 4766
16 15 69 34 27
46 26 156 83 35
93 127 1269 89 50
187 157 1927 88 75
51 22 67 25 32
DONE
reading conformers file: ./data/rna/C_conformers
n_lines: 5164
7 8 61 17 4
14 12 143 49 12
23 140 2110 21 24
88 101 2101 19 36
25 21 108 8 12
DONE
reading conformers file: ./data/rna/G_conformers
n_lines: 6375
11 7 79 21 50
20 17 175 54 39
42 102 2774 90 34
61 94 2314 71 100
20 22 142 15 21
DONE
reading conformers file: ./data/rna/U_conformers
n_lines: 3617
6 6 43 33 24
20 20 131 50 28
30 58 1412 30 24
64 82 1197 31 32
71 36 132 13 44
DONE
loading histrogram: ./data/rna/AA3.hist assigned_name: AA3.hist DONE
loading histrogram: ./data/rna/AC3.hist assigned_name: AC3.hist DONE
loading histrogram: ./data/rna/AG3.hist assigned_name: AG3.hist DONE
loading histrogram: ./data/rna/AU3.hist assigned_name: AU3.hist DONE
loading histrogram: ./data/rna/CA3.hist assigned_name: CA3.hist DONE
loading histrogram: ./data/rna/CC3.hist assigned_name: CC3.hist DONE
loading histrogram: ./data/rna/CG3.hist assigned_name: CG3.hist DONE
loading histrogram: ./data/rna/CU3.hist assigned_name: CU3.hist DONE
loading histrogram: ./data/rna/GA3.hist assigned_name: GA3.hist DONE
loading histrogram: ./data/rna/GC3.hist assigned_name: GC3.hist DONE
loading histrogram: ./data/rna/GG3.hist assigned_name: GG3.hist DONE
loading histrogram: ./data/rna/GU3.hist assigned_name: GU3.hist DONE
loading histrogram: ./data/rna/UA3.hist assigned_name: UA3.hist DONE
loading histrogram: ./data/rna/UC3.hist assigned_name: UC3.hist DONE
loading histrogram: ./data/rna/UG3.hist assigned_name: UG3.hist DONE
loading histrogram: ./data/rna/UU3.hist assigned_name: UU3.hist DONE
loading histrogram: ./data/rna/AU3_WW-repulsive.hist assigned_name: AU3_WW-repulsive.hist DONE
scaling: histogram AU3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/CG3_WW-repulsive.hist assigned_name: CG3_WW-repulsive.hist DONE
scaling: histogram CG3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/GC3_WW-repulsive.hist assigned_name: GC3_WW-repulsive.hist DONE
scaling: histogram GC3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/GU3_WW-repulsive.hist assigned_name: GU3_WW-repulsive.hist DONE
scaling: histogram GU3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/UA3_WW-repulsive.hist assigned_name: UA3_WW-repulsive.hist DONE
scaling: histogram UA3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/UG3_WW-repulsive.hist assigned_name: UG3_WW-repulsive.hist DONE
scaling: histogram UG3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/A-C4_3.hist assigned_name: A-C4_3.hist DONE
loading histrogram: ./data/rna/C-C4_3.hist assigned_name: C-C4_3.hist DONE
loading histrogram: ./data/rna/G-C4_3.hist assigned_name: G-C4_3.hist DONE
loading histrogram: ./data/rna/U-C4_3.hist assigned_name: U-C4_3.hist DONE
loading histrogram: ./data/rna/A-P_3.hist assigned_name: A-P_3.hist DONE
loading histrogram: ./data/rna/C-P_3.hist assigned_name: C-P_3.hist DONE
loading histrogram: ./data/rna/G-P_3.hist assigned_name: G-P_3.hist DONE
loading histrogram: ./data/rna/U-P_3.hist assigned_name: U-P_3.hist DONE
loading histrogram: ./data/rna/A_3_exvol.hist assigned_name: A_3_exvol.hist DONE
scaling: histogram A_3_exvol.hist was multiplied by 0.100000
loading histrogram: ./data/rna/C_3_exvol.hist assigned_name: C_3_exvol.hist DONE
scaling: histogram C_3_exvol.hist was multiplied by 0.100000
loading histrogram: ./data/rna/G_3_exvol.hist assigned_name: G_3_exvol.hist DONE
scaling: histogram G_3_exvol.hist was multiplied by 0.100000
loading histrogram: ./data/rna/U_3_exvol.hist assigned_name: U_3_exvol.hist DONE
scaling: histogram U_3_exvol.hist was multiplied by 0.100000
x_protein_frc: 0.000
x_rna_frc: 1.000
int EntireStructure::calcNumberOfAtoms(): numberOfAtoms: 145
n_atoms_counter: 145
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 28.000000 DONE
before calcCenterOfMass();
after calcCenterOfMass();
before calcTotalEnergy();
after calcTotalEnergy();
after entireStruct->initialize(input)
leaving: void SimulatedAnnealing::chooseTypeOfChain(struct InputParam input)
number of iterations = 8000000
trajectory write in every 16000 iterations
after each trajectory write attempt of changing replicas will be done
replica Temperature = 1.300
successfully initiated
initiating replica nr: 10
before entireStruct->initialize(input)
file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/test-0207f876/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/test-0207f876/inputs/seq.fa: 1
curr_seq: _GGCGCGGCACCGUCCGCGGAACAAACGG_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: GGCGCGGCACCGUCCGCGGAACAAACGG
RNAStructure(struct InputParam): Fraction Of One Atom Moves = 0.450000
RNAStructure(struct InputParam): Fraction Of Two Atoms Moves = 0.440000
RNAStructure(struct InputParam): Fraction Of Fragment Moves = 0.010000
RNAStructure(struct InputParam): Fraction Of Nitrogen Atom Moves = 0.100000
RNAStructure(struct InputParam): Fraction Of Rigid Rotation Moves = 0.000000
RNAStructure(struct InputParam): Fraction Of Rigid Translation Moves = 0.000000
RNA chains:
chain A contains 28 nucleotides
loading histrogram: ./data/rna/dist_PC.data.new_hist assigned_name: dist_PC.data.new_hist DONE
loading histrogram: ./data/rna/dist_CP.data.new_hist assigned_name: dist_CP.data.new_hist DONE
loading histrogram: ./data/rna/angle_PCP.data.new_hist assigned_name: angle_PCP.data.new_hist DONE
loading histrogram: ./data/rna/angle_CPC.data.new_hist assigned_name: angle_CPC.data.new_hist DONE
loading histrogram: ./data/rna/eta_theta.data.new_hist assigned_name: eta_theta.data.new_hist DONE
reweighting term eta_theta by 0.400000, default value
scaling: histogram eta_theta.data.new_hist was multiplied by 0.400000
eta-theta term was reweighted by factor 0.400000 provided by the user
reading conformers file: ./data/rna/A_conformers
n_lines: 4766
16 15 69 34 27
46 26 156 83 35
93 127 1269 89 50
187 157 1927 88 75
51 22 67 25 32
DONE
reading conformers file: ./data/rna/C_conformers
n_lines: 5164
7 8 61 17 4
14 12 143 49 12
23 140 2110 21 24
88 101 2101 19 36
25 21 108 8 12
DONE
reading conformers file: ./data/rna/G_conformers
n_lines: 6375
11 7 79 21 50
20 17 175 54 39
42 102 2774 90 34
61 94 2314 71 100
20 22 142 15 21
DONE
reading conformers file: ./data/rna/U_conformers
n_lines: 3617
6 6 43 33 24
20 20 131 50 28
30 58 1412 30 24
64 82 1197 31 32
71 36 132 13 44
DONE
loading histrogram: ./data/rna/AA3.hist assigned_name: AA3.hist DONE
loading histrogram: ./data/rna/AC3.hist assigned_name: AC3.hist DONE
loading histrogram: ./data/rna/AG3.hist assigned_name: AG3.hist DONE
loading histrogram: ./data/rna/AU3.hist assigned_name: AU3.hist DONE
loading histrogram: ./data/rna/CA3.hist assigned_name: CA3.hist DONE
loading histrogram: ./data/rna/CC3.hist assigned_name: CC3.hist DONE
loading histrogram: ./data/rna/CG3.hist assigned_name: CG3.hist DONE
loading histrogram: ./data/rna/CU3.hist assigned_name: CU3.hist DONE
loading histrogram: ./data/rna/GA3.hist assigned_name: GA3.hist DONE
loading histrogram: ./data/rna/GC3.hist assigned_name: GC3.hist DONE
loading histrogram: ./data/rna/GG3.hist assigned_name: GG3.hist DONE
loading histrogram: ./data/rna/GU3.hist assigned_name: GU3.hist DONE
loading histrogram: ./data/rna/UA3.hist assigned_name: UA3.hist DONE
loading histrogram: ./data/rna/UC3.hist assigned_name: UC3.hist DONE
loading histrogram: ./data/rna/UG3.hist assigned_name: UG3.hist DONE
loading histrogram: ./data/rna/UU3.hist assigned_name: UU3.hist DONE
loading histrogram: ./data/rna/AU3_WW-repulsive.hist assigned_name: AU3_WW-repulsive.hist DONE
scaling: histogram AU3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/CG3_WW-repulsive.hist assigned_name: CG3_WW-repulsive.hist DONE
scaling: histogram CG3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/GC3_WW-repulsive.hist assigned_name: GC3_WW-repulsive.hist DONE
scaling: histogram GC3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/GU3_WW-repulsive.hist assigned_name: GU3_WW-repulsive.hist DONE
scaling: histogram GU3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/UA3_WW-repulsive.hist assigned_name: UA3_WW-repulsive.hist DONE
scaling: histogram UA3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/UG3_WW-repulsive.hist assigned_name: UG3_WW-repulsive.hist DONE
scaling: histogram UG3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/A-C4_3.hist assigned_name: A-C4_3.hist DONE
loading histrogram: ./data/rna/C-C4_3.hist assigned_name: C-C4_3.hist DONE
loading histrogram: ./data/rna/G-C4_3.hist assigned_name: G-C4_3.hist DONE
loading histrogram: ./data/rna/U-C4_3.hist assigned_name: U-C4_3.hist DONE
loading histrogram: ./data/rna/A-P_3.hist assigned_name: A-P_3.hist DONE
loading histrogram: ./data/rna/C-P_3.hist assigned_name: C-P_3.hist DONE
loading histrogram: ./data/rna/G-P_3.hist assigned_name: G-P_3.hist DONE
loading histrogram: ./data/rna/U-P_3.hist assigned_name: U-P_3.hist DONE
loading histrogram: ./data/rna/A_3_exvol.hist assigned_name: A_3_exvol.hist DONE
scaling: histogram A_3_exvol.hist was multiplied by 0.100000
loading histrogram: ./data/rna/C_3_exvol.hist assigned_name: C_3_exvol.hist DONE
scaling: histogram C_3_exvol.hist was multiplied by 0.100000
loading histrogram: ./data/rna/G_3_exvol.hist assigned_name: G_3_exvol.hist DONE
scaling: histogram G_3_exvol.hist was multiplied by 0.100000
loading histrogram: ./data/rna/U_3_exvol.hist assigned_name: U_3_exvol.hist DONE
scaling: histogram U_3_exvol.hist was multiplied by 0.100000
x_protein_frc: 0.000
x_rna_frc: 1.000
int EntireStructure::calcNumberOfAtoms(): numberOfAtoms: 145
n_atoms_counter: 145
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 28.000000 DONE
before calcCenterOfMass();
after calcCenterOfMass();
before calcTotalEnergy();
after calcTotalEnergy();
after entireStruct->initialize(input)
leaving: void SimulatedAnnealing::chooseTypeOfChain(struct InputParam input)
number of iterations = 8000000
trajectory write in every 16000 iterations
after each trajectory write attempt of changing replicas will be done
replica Temperature = 1.350
successfully initiated
.calculating
program compiled for parallel execution of replicas in Replica Exchange MC method
program can utilize maximum as many CPU cores as replicas, in this case: 10
==================================
temp. level: 1, replica: 1
=====================================
Write number: 1
Temperature: 0.900000
Total energy: -105.426613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.426613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.426613 (E_RNA)
where:
Base-Base interactions energy: -1.398
where: short stacking energy: -1.398
Base-Backbone interact. energy: -0.000
local terms energy: -104.029047
where:
bonds (distance) C4'-P energy: -27.204
bonds (distance) P-C4' energy: -25.945
flat angles C4'-P-C4' energy: -20.558
flat angles P-C4'-P energy: -23.516
tors. eta vs tors. theta energy: -6.805
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 1
Temperature: 0.950000
Total energy: -105.426613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.426613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.426613 (E_RNA)
where:
Base-Base interactions energy: -1.398
where: short stacking energy: -1.398
Base-Backbone interact. energy: -0.000
local terms energy: -104.029047
where:
bonds (distance) C4'-P energy: -27.204
bonds (distance) P-C4' energy: -25.945
flat angles C4'-P-C4' energy: -20.558
flat angles P-C4'-P energy: -23.516
tors. eta vs tors. theta energy: -6.805
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 1
Temperature: 1.000000
Total energy: -105.426613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.426613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.426613 (E_RNA)
where:
Base-Base interactions energy: -1.398
where: short stacking energy: -1.398
Base-Backbone interact. energy: -0.000
local terms energy: -104.029047
where:
bonds (distance) C4'-P energy: -27.204
bonds (distance) P-C4' energy: -25.945
flat angles C4'-P-C4' energy: -20.558
flat angles P-C4'-P energy: -23.516
tors. eta vs tors. theta energy: -6.805
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 1
Temperature: 1.050000
Total energy: -105.426613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.426613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.426613 (E_RNA)
where:
Base-Base interactions energy: -1.398
where: short stacking energy: -1.398
Base-Backbone interact. energy: -0.000
local terms energy: -104.029047
where:
bonds (distance) C4'-P energy: -27.204
bonds (distance) P-C4' energy: -25.945
flat angles C4'-P-C4' energy: -20.558
flat angles P-C4'-P energy: -23.516
tors. eta vs tors. theta energy: -6.805
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 1
Temperature: 1.100000
Total energy: -105.426613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.426613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.426613 (E_RNA)
where:
Base-Base interactions energy: -1.398
where: short stacking energy: -1.398
Base-Backbone interact. energy: -0.000
local terms energy: -104.029047
where:
bonds (distance) C4'-P energy: -27.204
bonds (distance) P-C4' energy: -25.945
flat angles C4'-P-C4' energy: -20.558
flat angles P-C4'-P energy: -23.516
tors. eta vs tors. theta energy: -6.805
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 1
Temperature: 1.150000
Total energy: -105.426613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.426613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.426613 (E_RNA)
where:
Base-Base interactions energy: -1.398
where: short stacking energy: -1.398
Base-Backbone interact. energy: -0.000
local terms energy: -104.029047
where:
bonds (distance) C4'-P energy: -27.204
bonds (distance) P-C4' energy: -25.945
flat angles C4'-P-C4' energy: -20.558
flat angles P-C4'-P energy: -23.516
tors. eta vs tors. theta energy: -6.805
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 1
Temperature: 1.200000
Total energy: -105.426613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.426613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.426613 (E_RNA)
where:
Base-Base interactions energy: -1.398
where: short stacking energy: -1.398
Base-Backbone interact. energy: -0.000
local terms energy: -104.029047
where:
bonds (distance) C4'-P energy: -27.204
bonds (distance) P-C4' energy: -25.945
flat angles C4'-P-C4' energy: -20.558
flat angles P-C4'-P energy: -23.516
tors. eta vs tors. theta energy: -6.805
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 1
Temperature: 1.250000
Total energy: -105.426613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.426613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.426613 (E_RNA)
where:
Base-Base interactions energy: -1.398
where: short stacking energy: -1.398
Base-Backbone interact. energy: -0.000
local terms energy: -104.029047
where:
bonds (distance) C4'-P energy: -27.204
bonds (distance) P-C4' energy: -25.945
flat angles C4'-P-C4' energy: -20.558
flat angles P-C4'-P energy: -23.516
tors. eta vs tors. theta energy: -6.805
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 1
Temperature: 1.300000
Total energy: -105.426613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.426613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.426613 (E_RNA)
where:
Base-Base interactions energy: -1.398
where: short stacking energy: -1.398
Base-Backbone interact. energy: -0.000
local terms energy: -104.029047
where:
bonds (distance) C4'-P energy: -27.204
bonds (distance) P-C4' energy: -25.945
flat angles C4'-P-C4' energy: -20.558
flat angles P-C4'-P energy: -23.516
tors. eta vs tors. theta energy: -6.805
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 1
Temperature: 1.350000
Total energy: -105.426613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.426613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.426613 (E_RNA)
where:
Base-Base interactions energy: -1.398
where: short stacking energy: -1.398
Base-Backbone interact. energy: -0.000
local terms energy: -104.029047
where:
bonds (distance) C4'-P energy: -27.204
bonds (distance) P-C4' energy: -25.945
flat angles C4'-P-C4' energy: -20.558
flat angles P-C4'-P energy: -23.516
tors. eta vs tors. theta energy: -6.805
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 2
Temperature: 0.900000
Total energy: -189.225902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.225902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.225902 (E_RNA)
where:
Base-Base interactions energy: -97.204
where: short stacking energy: -72.914
Base-Backbone interact. energy: 0.064
local terms energy: -92.086773
where:
bonds (distance) C4'-P energy: -20.552
bonds (distance) P-C4' energy: -22.673
flat angles C4'-P-C4' energy: -19.493
flat angles P-C4'-P energy: -13.063
tors. eta vs tors. theta energy: -16.306
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 2
Temperature: 0.950000
Total energy: -150.378917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.378917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.378917 (E_RNA)
where:
Base-Base interactions energy: -71.040
where: short stacking energy: -56.206
Base-Backbone interact. energy: -0.540
local terms energy: -78.798342
where:
bonds (distance) C4'-P energy: -19.788
bonds (distance) P-C4' energy: -21.973
flat angles C4'-P-C4' energy: -21.375
flat angles P-C4'-P energy: -12.408
tors. eta vs tors. theta energy: -3.255
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 2
Temperature: 1.000000
Total energy: -164.807739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.807739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.807739 (E_RNA)
where:
Base-Base interactions energy: -82.722
where: short stacking energy: -68.823
Base-Backbone interact. energy: -0.200
local terms energy: -81.886664
where:
bonds (distance) C4'-P energy: -17.496
bonds (distance) P-C4' energy: -22.324
flat angles C4'-P-C4' energy: -21.138
flat angles P-C4'-P energy: -12.152
tors. eta vs tors. theta energy: -8.777
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 2
Temperature: 1.050000
Total energy: -164.810581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.810581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.810581 (E_RNA)
where:
Base-Base interactions energy: -92.921
where: short stacking energy: -60.176
Base-Backbone interact. energy: -0.118
local terms energy: -71.771582
where:
bonds (distance) C4'-P energy: -20.129
bonds (distance) P-C4' energy: -17.150
flat angles C4'-P-C4' energy: -11.209
flat angles P-C4'-P energy: -10.024
tors. eta vs tors. theta energy: -13.260
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 2
Temperature: 1.100000
Total energy: -153.486041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.486041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.486041 (E_RNA)
where:
Base-Base interactions energy: -75.915
where: short stacking energy: -58.693
Base-Backbone interact. energy: 0.551
local terms energy: -78.121267
where:
bonds (distance) C4'-P energy: -14.159
bonds (distance) P-C4' energy: -19.377
flat angles C4'-P-C4' energy: -19.346
flat angles P-C4'-P energy: -14.204
tors. eta vs tors. theta energy: -11.036
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 2
Temperature: 1.150000
Total energy: -129.052622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.052622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.052622 (E_RNA)
where:
Base-Base interactions energy: -52.528
where: short stacking energy: -51.499
Base-Backbone interact. energy: -0.044
local terms energy: -76.480430
where:
bonds (distance) C4'-P energy: -17.501
bonds (distance) P-C4' energy: -22.517
flat angles C4'-P-C4' energy: -12.141
flat angles P-C4'-P energy: -13.358
tors. eta vs tors. theta energy: -10.963
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 2
Temperature: 1.200000
Total energy: -123.963711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.963711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.963711 (E_RNA)
where:
Base-Base interactions energy: -60.026
where: short stacking energy: -39.987
Base-Backbone interact. energy: -0.144
local terms energy: -63.793549
where:
bonds (distance) C4'-P energy: -12.094
bonds (distance) P-C4' energy: -22.191
flat angles C4'-P-C4' energy: -14.742
flat angles P-C4'-P energy: -14.335
tors. eta vs tors. theta energy: -0.432
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 2
Temperature: 1.250000
Total energy: -133.455813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.455813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.455813 (E_RNA)
where:
Base-Base interactions energy: -51.309
where: short stacking energy: -51.309
Base-Backbone interact. energy: -0.119
local terms energy: -82.028338
where:
bonds (distance) C4'-P energy: -18.577
bonds (distance) P-C4' energy: -18.327
flat angles C4'-P-C4' energy: -17.679
flat angles P-C4'-P energy: -14.352
tors. eta vs tors. theta energy: -13.094
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 2
Temperature: 1.300000
Total energy: -155.091349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.091349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.091349 (E_RNA)
where:
Base-Base interactions energy: -104.070
where: short stacking energy: -51.716
Base-Backbone interact. energy: -0.838
local terms energy: -50.183182
where:
bonds (distance) C4'-P energy: -14.603
bonds (distance) P-C4' energy: -13.332
flat angles C4'-P-C4' energy: -11.327
flat angles P-C4'-P energy: -4.835
tors. eta vs tors. theta energy: -6.086
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 2
Temperature: 1.350000
Total energy: -106.610778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.610778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.610778 (E_RNA)
where:
Base-Base interactions energy: -44.830
where: short stacking energy: -41.884
Base-Backbone interact. energy: -0.170
local terms energy: -61.610798
where:
bonds (distance) C4'-P energy: -14.064
bonds (distance) P-C4' energy: -17.259
flat angles C4'-P-C4' energy: -13.498
flat angles P-C4'-P energy: -8.502
tors. eta vs tors. theta energy: -8.287
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 3
Temperature: 0.900000
Total energy: -212.830111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.830111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.830111 (E_RNA)
where:
Base-Base interactions energy: -112.848
where: short stacking energy: -92.084
Base-Backbone interact. energy: -0.108
local terms energy: -99.874626
where:
bonds (distance) C4'-P energy: -22.588
bonds (distance) P-C4' energy: -22.066
flat angles C4'-P-C4' energy: -22.201
flat angles P-C4'-P energy: -8.691
tors. eta vs tors. theta energy: -24.328
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 3
Temperature: 0.950000
Total energy: -185.690696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.690696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.690696 (E_RNA)
where:
Base-Base interactions energy: -96.326
where: short stacking energy: -73.538
Base-Backbone interact. energy: 0.046
local terms energy: -89.410255
where:
bonds (distance) C4'-P energy: -19.428
bonds (distance) P-C4' energy: -23.980
flat angles C4'-P-C4' energy: -21.035
flat angles P-C4'-P energy: -10.029
tors. eta vs tors. theta energy: -14.938
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 3
Temperature: 1.000000
Total energy: -178.740645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.740645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.740645 (E_RNA)
where:
Base-Base interactions energy: -88.817
where: short stacking energy: -65.752
Base-Backbone interact. energy: 0.597
local terms energy: -90.520457
where:
bonds (distance) C4'-P energy: -15.961
bonds (distance) P-C4' energy: -23.030
flat angles C4'-P-C4' energy: -18.310
flat angles P-C4'-P energy: -14.745
tors. eta vs tors. theta energy: -18.475
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 3
Temperature: 1.050000
Total energy: -158.998015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.998015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.998015 (E_RNA)
where:
Base-Base interactions energy: -86.446
where: short stacking energy: -61.791
Base-Backbone interact. energy: -0.970
local terms energy: -71.582043
where:
bonds (distance) C4'-P energy: -15.966
bonds (distance) P-C4' energy: -15.438
flat angles C4'-P-C4' energy: -16.230
flat angles P-C4'-P energy: -14.823
tors. eta vs tors. theta energy: -9.125
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 3
Temperature: 1.100000
Total energy: -182.912268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.912268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.912268 (E_RNA)
where:
Base-Base interactions energy: -122.200
where: short stacking energy: -51.871
Base-Backbone interact. energy: -0.084
local terms energy: -60.628699
where:
bonds (distance) C4'-P energy: -16.660
bonds (distance) P-C4' energy: -16.660
flat angles C4'-P-C4' energy: -16.765
flat angles P-C4'-P energy: -6.479
tors. eta vs tors. theta energy: -4.064
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 3
Temperature: 1.150000
Total energy: -144.670792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.670792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.670792 (E_RNA)
where:
Base-Base interactions energy: -60.938
where: short stacking energy: -53.122
Base-Backbone interact. energy: -0.256
local terms energy: -83.476745
where:
bonds (distance) C4'-P energy: -17.667
bonds (distance) P-C4' energy: -22.806
flat angles C4'-P-C4' energy: -19.287
flat angles P-C4'-P energy: -12.835
tors. eta vs tors. theta energy: -10.883
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 3
Temperature: 1.200000
Total energy: -168.265083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.265083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.265083 (E_RNA)
where:
Base-Base interactions energy: -103.335
where: short stacking energy: -45.558
Base-Backbone interact. energy: 1.059
local terms energy: -65.989275
where:
bonds (distance) C4'-P energy: -15.848
bonds (distance) P-C4' energy: -20.373
flat angles C4'-P-C4' energy: -14.519
flat angles P-C4'-P energy: -8.455
tors. eta vs tors. theta energy: -6.794
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 3
Temperature: 1.250000
Total energy: -176.724625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.724625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.724625 (E_RNA)
where:
Base-Base interactions energy: -117.306
where: short stacking energy: -56.461
Base-Backbone interact. energy: -0.613
local terms energy: -58.804817
where:
bonds (distance) C4'-P energy: -15.878
bonds (distance) P-C4' energy: -18.208
flat angles C4'-P-C4' energy: -9.486
flat angles P-C4'-P energy: -6.635
tors. eta vs tors. theta energy: -8.598
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 3
Temperature: 1.300000
Total energy: -106.595082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.595082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.595082 (E_RNA)
where:
Base-Base interactions energy: -41.001
where: short stacking energy: -36.824
Base-Backbone interact. energy: 1.032
local terms energy: -66.625786
where:
bonds (distance) C4'-P energy: -12.557
bonds (distance) P-C4' energy: -20.048
flat angles C4'-P-C4' energy: -19.238
flat angles P-C4'-P energy: -13.707
tors. eta vs tors. theta energy: -1.076
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 3
Temperature: 1.350000
Total energy: -103.326866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.326866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.326866 (E_RNA)
where:
Base-Base interactions energy: -39.166
where: short stacking energy: -33.612
Base-Backbone interact. energy: -0.394
local terms energy: -63.767013
where:
bonds (distance) C4'-P energy: -15.108
bonds (distance) P-C4' energy: -19.428
flat angles C4'-P-C4' energy: -14.233
flat angles P-C4'-P energy: -12.359
tors. eta vs tors. theta energy: -2.639
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 4
Temperature: 0.900000
Total energy: -208.108058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.108058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.108058 (E_RNA)
where:
Base-Base interactions energy: -117.991
where: short stacking energy: -82.591
Base-Backbone interact. energy: -0.461
local terms energy: -89.655355
where:
bonds (distance) C4'-P energy: -17.138
bonds (distance) P-C4' energy: -17.028
flat angles C4'-P-C4' energy: -18.788
flat angles P-C4'-P energy: -18.065
tors. eta vs tors. theta energy: -18.637
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 4
Temperature: 0.950000
Total energy: -181.525137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.525137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.525137 (E_RNA)
where:
Base-Base interactions energy: -100.199
where: short stacking energy: -78.159
Base-Backbone interact. energy: -0.106
local terms energy: -81.220404
where:
bonds (distance) C4'-P energy: -16.059
bonds (distance) P-C4' energy: -16.668
flat angles C4'-P-C4' energy: -19.286
flat angles P-C4'-P energy: -9.964
tors. eta vs tors. theta energy: -19.244
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 4
Temperature: 1.000000
Total energy: -197.076362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.076362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.076362 (E_RNA)
where:
Base-Base interactions energy: -97.859
where: short stacking energy: -73.933
Base-Backbone interact. energy: -0.088
local terms energy: -99.130001
where:
bonds (distance) C4'-P energy: -22.303
bonds (distance) P-C4' energy: -21.182
flat angles C4'-P-C4' energy: -21.156
flat angles P-C4'-P energy: -15.475
tors. eta vs tors. theta energy: -19.013
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 4
Temperature: 1.050000
Total energy: -184.441067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.441067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.441067 (E_RNA)
where:
Base-Base interactions energy: -102.601
where: short stacking energy: -53.975
Base-Backbone interact. energy: 1.058
local terms energy: -82.897421
where:
bonds (distance) C4'-P energy: -22.080
bonds (distance) P-C4' energy: -21.123
flat angles C4'-P-C4' energy: -17.333
flat angles P-C4'-P energy: -13.089
tors. eta vs tors. theta energy: -9.272
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 4
Temperature: 1.100000
Total energy: -160.711372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.711372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.711372 (E_RNA)
where:
Base-Base interactions energy: -90.104
where: short stacking energy: -56.093
Base-Backbone interact. energy: -0.184
local terms energy: -70.423166
where:
bonds (distance) C4'-P energy: -18.042
bonds (distance) P-C4' energy: -12.985
flat angles C4'-P-C4' energy: -16.569
flat angles P-C4'-P energy: -10.846
tors. eta vs tors. theta energy: -11.981
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 4
Temperature: 1.150000
Total energy: -146.901617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.901617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.901617 (E_RNA)
where:
Base-Base interactions energy: -82.567
where: short stacking energy: -42.681
Base-Backbone interact. energy: -0.421
local terms energy: -63.912765
where:
bonds (distance) C4'-P energy: -20.337
bonds (distance) P-C4' energy: -16.858
flat angles C4'-P-C4' energy: -13.780
flat angles P-C4'-P energy: -8.065
tors. eta vs tors. theta energy: -4.872
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 4
Temperature: 1.200000
Total energy: -205.006970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.006970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.006970 (E_RNA)
where:
Base-Base interactions energy: -123.333
where: short stacking energy: -55.090
Base-Backbone interact. energy: -1.632
local terms energy: -80.041125
where:
bonds (distance) C4'-P energy: -13.207
bonds (distance) P-C4' energy: -17.771
flat angles C4'-P-C4' energy: -22.209
flat angles P-C4'-P energy: -15.590
tors. eta vs tors. theta energy: -11.264
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 4
Temperature: 1.250000
Total energy: -203.496548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.496548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.496548 (E_RNA)
where:
Base-Base interactions energy: -121.429
where: short stacking energy: -67.726
Base-Backbone interact. energy: 0.071
local terms energy: -82.138425
where:
bonds (distance) C4'-P energy: -14.522
bonds (distance) P-C4' energy: -15.546
flat angles C4'-P-C4' energy: -18.488
flat angles P-C4'-P energy: -14.556
tors. eta vs tors. theta energy: -19.027
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 4
Temperature: 1.300000
Total energy: -118.955100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.955100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.955100 (E_RNA)
where:
Base-Base interactions energy: -49.544
where: short stacking energy: -39.962
Base-Backbone interact. energy: 0.277
local terms energy: -69.688619
where:
bonds (distance) C4'-P energy: -18.440
bonds (distance) P-C4' energy: -20.119
flat angles C4'-P-C4' energy: -17.028
flat angles P-C4'-P energy: -8.182
tors. eta vs tors. theta energy: -5.920
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 4
Temperature: 1.350000
Total energy: -99.058849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.058849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.058849 (E_RNA)
where:
Base-Base interactions energy: -45.051
where: short stacking energy: -32.536
Base-Backbone interact. energy: 0.119
local terms energy: -54.126664
where:
bonds (distance) C4'-P energy: -9.580
bonds (distance) P-C4' energy: -21.105
flat angles C4'-P-C4' energy: -17.595
flat angles P-C4'-P energy: -7.733
tors. eta vs tors. theta energy: 1.886
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 5
Temperature: 0.900000
Total energy: -228.540620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.540620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.540620 (E_RNA)
where:
Base-Base interactions energy: -138.601
where: short stacking energy: -81.510
Base-Backbone interact. energy: -0.157
local terms energy: -89.782937
where:
bonds (distance) C4'-P energy: -20.473
bonds (distance) P-C4' energy: -17.491
flat angles C4'-P-C4' energy: -23.114
flat angles P-C4'-P energy: -10.719
tors. eta vs tors. theta energy: -17.986
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 5
Temperature: 0.950000
Total energy: -227.919093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.919093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.919093 (E_RNA)
where:
Base-Base interactions energy: -135.651
where: short stacking energy: -89.079
Base-Backbone interact. energy: -0.041
local terms energy: -92.227532
where:
bonds (distance) C4'-P energy: -14.056
bonds (distance) P-C4' energy: -21.851
flat angles C4'-P-C4' energy: -20.511
flat angles P-C4'-P energy: -17.165
tors. eta vs tors. theta energy: -18.644
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 5
Temperature: 1.000000
Total energy: -198.414212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.414212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.414212 (E_RNA)
where:
Base-Base interactions energy: -108.202
where: short stacking energy: -90.274
Base-Backbone interact. energy: -0.101
local terms energy: -90.111323
where:
bonds (distance) C4'-P energy: -19.343
bonds (distance) P-C4' energy: -16.418
flat angles C4'-P-C4' energy: -19.178
flat angles P-C4'-P energy: -10.157
tors. eta vs tors. theta energy: -25.015
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 5
Temperature: 1.050000
Total energy: -184.299148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.299148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.299148 (E_RNA)
where:
Base-Base interactions energy: -105.087
where: short stacking energy: -69.861
Base-Backbone interact. energy: -0.140
local terms energy: -79.071658
where:
bonds (distance) C4'-P energy: -20.871
bonds (distance) P-C4' energy: -19.955
flat angles C4'-P-C4' energy: -9.820
flat angles P-C4'-P energy: -14.399
tors. eta vs tors. theta energy: -14.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 5
Temperature: 1.100000
Total energy: -142.261814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.261814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.261814 (E_RNA)
where:
Base-Base interactions energy: -71.194
where: short stacking energy: -61.959
Base-Backbone interact. energy: -0.200
local terms energy: -70.867248
where:
bonds (distance) C4'-P energy: -16.320
bonds (distance) P-C4' energy: -20.501
flat angles C4'-P-C4' energy: -16.636
flat angles P-C4'-P energy: -7.811
tors. eta vs tors. theta energy: -9.600
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 5
Temperature: 1.150000
Total energy: -208.011169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.011169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.011169 (E_RNA)
where:
Base-Base interactions energy: -133.358
where: short stacking energy: -63.954
Base-Backbone interact. energy: 0.437
local terms energy: -75.090548
where:
bonds (distance) C4'-P energy: -11.693
bonds (distance) P-C4' energy: -20.535
flat angles C4'-P-C4' energy: -16.824
flat angles P-C4'-P energy: -15.976
tors. eta vs tors. theta energy: -10.063
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 5
Temperature: 1.200000
Total energy: -149.739347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.739347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.739347 (E_RNA)
where:
Base-Base interactions energy: -83.237
where: short stacking energy: -61.785
Base-Backbone interact. energy: -0.116
local terms energy: -66.385978
where:
bonds (distance) C4'-P energy: -13.585
bonds (distance) P-C4' energy: -17.743
flat angles C4'-P-C4' energy: -16.598
flat angles P-C4'-P energy: -10.582
tors. eta vs tors. theta energy: -7.878
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 5
Temperature: 1.250000
Total energy: -160.240336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.240336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.240336 (E_RNA)
where:
Base-Base interactions energy: -90.244
where: short stacking energy: -63.722
Base-Backbone interact. energy: -0.106
local terms energy: -69.890363
where:
bonds (distance) C4'-P energy: -20.765
bonds (distance) P-C4' energy: -14.609
flat angles C4'-P-C4' energy: -13.558
flat angles P-C4'-P energy: -7.198
tors. eta vs tors. theta energy: -13.761
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 5
Temperature: 1.300000
Total energy: -143.127149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.127149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.127149 (E_RNA)
where:
Base-Base interactions energy: -84.623
where: short stacking energy: -45.642
Base-Backbone interact. energy: 0.738
local terms energy: -59.241653
where:
bonds (distance) C4'-P energy: -11.112
bonds (distance) P-C4' energy: -16.638
flat angles C4'-P-C4' energy: -17.008
flat angles P-C4'-P energy: -7.957
tors. eta vs tors. theta energy: -6.526
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 5
Temperature: 1.350000
Total energy: -104.920949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.920949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.920949 (E_RNA)
where:
Base-Base interactions energy: -45.129
where: short stacking energy: -30.578
Base-Backbone interact. energy: -0.475
local terms energy: -59.316442
where:
bonds (distance) C4'-P energy: -14.994
bonds (distance) P-C4' energy: -19.311
flat angles C4'-P-C4' energy: -16.380
flat angles P-C4'-P energy: -10.983
tors. eta vs tors. theta energy: 2.352
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 6
Temperature: 0.900000
Total energy: -235.225201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.225201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.225201 (E_RNA)
where:
Base-Base interactions energy: -143.093
where: short stacking energy: -76.569
Base-Backbone interact. energy: -0.165
local terms energy: -91.966677
where:
bonds (distance) C4'-P energy: -17.038
bonds (distance) P-C4' energy: -18.050
flat angles C4'-P-C4' energy: -21.881
flat angles P-C4'-P energy: -14.993
tors. eta vs tors. theta energy: -20.005
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 6
Temperature: 0.950000
Total energy: -224.760553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.760553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.760553 (E_RNA)
where:
Base-Base interactions energy: -139.588
where: short stacking energy: -78.788
Base-Backbone interact. energy: -0.063
local terms energy: -85.109156
where:
bonds (distance) C4'-P energy: -17.467
bonds (distance) P-C4' energy: -21.485
flat angles C4'-P-C4' energy: -19.434
flat angles P-C4'-P energy: -12.586
tors. eta vs tors. theta energy: -14.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 6
Temperature: 1.000000
Total energy: -171.614806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.614806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.614806 (E_RNA)
where:
Base-Base interactions energy: -86.919
where: short stacking energy: -64.655
Base-Backbone interact. energy: -0.268
local terms energy: -84.428118
where:
bonds (distance) C4'-P energy: -18.242
bonds (distance) P-C4' energy: -23.273
flat angles C4'-P-C4' energy: -18.174
flat angles P-C4'-P energy: -9.404
tors. eta vs tors. theta energy: -15.335
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 6
Temperature: 1.050000
Total energy: -162.739679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.739679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.739679 (E_RNA)
where:
Base-Base interactions energy: -92.908
where: short stacking energy: -61.310
Base-Backbone interact. energy: -0.630
local terms energy: -69.202032
where:
bonds (distance) C4'-P energy: -17.808
bonds (distance) P-C4' energy: -17.147
flat angles C4'-P-C4' energy: -17.265
flat angles P-C4'-P energy: -5.794
tors. eta vs tors. theta energy: -11.188
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 6
Temperature: 1.100000
Total energy: -220.482413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.482413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.482413 (E_RNA)
where:
Base-Base interactions energy: -141.515
where: short stacking energy: -70.183
Base-Backbone interact. energy: -0.399
local terms energy: -78.567982
where:
bonds (distance) C4'-P energy: -15.360
bonds (distance) P-C4' energy: -19.613
flat angles C4'-P-C4' energy: -13.719
flat angles P-C4'-P energy: -17.335
tors. eta vs tors. theta energy: -12.542
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 6
Temperature: 1.150000
Total energy: -148.353700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.353700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.353700 (E_RNA)
where:
Base-Base interactions energy: -78.987
where: short stacking energy: -51.218
Base-Backbone interact. energy: -0.041
local terms energy: -69.325637
where:
bonds (distance) C4'-P energy: -16.451
bonds (distance) P-C4' energy: -16.512
flat angles C4'-P-C4' energy: -14.811
flat angles P-C4'-P energy: -13.680
tors. eta vs tors. theta energy: -7.872
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 6
Temperature: 1.200000
Total energy: -186.303126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.303126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.303126 (E_RNA)
where:
Base-Base interactions energy: -108.528
where: short stacking energy: -60.670
Base-Backbone interact. energy: -0.261
local terms energy: -77.513846
where:
bonds (distance) C4'-P energy: -15.306
bonds (distance) P-C4' energy: -19.887
flat angles C4'-P-C4' energy: -16.235
flat angles P-C4'-P energy: -14.645
tors. eta vs tors. theta energy: -11.441
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 6
Temperature: 1.250000
Total energy: -123.609256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.609256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.609256 (E_RNA)
where:
Base-Base interactions energy: -45.769
where: short stacking energy: -45.769
Base-Backbone interact. energy: -0.044
local terms energy: -77.795754
where:
bonds (distance) C4'-P energy: -16.779
bonds (distance) P-C4' energy: -23.941
flat angles C4'-P-C4' energy: -18.432
flat angles P-C4'-P energy: -14.386
tors. eta vs tors. theta energy: -4.257
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 6
Temperature: 1.300000
Total energy: -105.467894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.467894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.467894 (E_RNA)
where:
Base-Base interactions energy: -41.064
where: short stacking energy: -39.891
Base-Backbone interact. energy: -0.137
local terms energy: -64.266115
where:
bonds (distance) C4'-P energy: -14.689
bonds (distance) P-C4' energy: -21.124
flat angles C4'-P-C4' energy: -13.324
flat angles P-C4'-P energy: -11.930
tors. eta vs tors. theta energy: -3.199
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 6
Temperature: 1.350000
Total energy: -103.667870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.667870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.667870 (E_RNA)
where:
Base-Base interactions energy: -41.478
where: short stacking energy: -31.530
Base-Backbone interact. energy: -0.560
local terms energy: -61.629318
where:
bonds (distance) C4'-P energy: -17.518
bonds (distance) P-C4' energy: -16.122
flat angles C4'-P-C4' energy: -15.885
flat angles P-C4'-P energy: -12.342
tors. eta vs tors. theta energy: 0.239
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 7
Temperature: 0.900000
Total energy: -263.945977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.945977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.945977 (E_RNA)
where:
Base-Base interactions energy: -159.370
where: short stacking energy: -96.884
Base-Backbone interact. energy: -0.076
local terms energy: -104.500475
where:
bonds (distance) C4'-P energy: -20.114
bonds (distance) P-C4' energy: -20.890
flat angles C4'-P-C4' energy: -16.206
flat angles P-C4'-P energy: -19.088
tors. eta vs tors. theta energy: -28.203
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 7
Temperature: 0.950000
Total energy: -191.750894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.750894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.750894 (E_RNA)
where:
Base-Base interactions energy: -116.323
where: short stacking energy: -51.074
Base-Backbone interact. energy: 0.155
local terms energy: -75.582910
where:
bonds (distance) C4'-P energy: -21.500
bonds (distance) P-C4' energy: -21.548
flat angles C4'-P-C4' energy: -13.525
flat angles P-C4'-P energy: -12.018
tors. eta vs tors. theta energy: -6.992
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 7
Temperature: 1.000000
Total energy: -189.831540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.831540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.831540 (E_RNA)
where:
Base-Base interactions energy: -111.920
where: short stacking energy: -67.118
Base-Backbone interact. energy: -0.115
local terms energy: -77.796423
where:
bonds (distance) C4'-P energy: -19.390
bonds (distance) P-C4' energy: -17.909
flat angles C4'-P-C4' energy: -15.783
flat angles P-C4'-P energy: -11.322
tors. eta vs tors. theta energy: -13.393
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 7
Temperature: 1.050000
Total energy: -255.956695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.956695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.956695 (E_RNA)
where:
Base-Base interactions energy: -152.701
where: short stacking energy: -78.615
Base-Backbone interact. energy: -0.231
local terms energy: -103.024945
where:
bonds (distance) C4'-P energy: -21.576
bonds (distance) P-C4' energy: -19.560
flat angles C4'-P-C4' energy: -22.233
flat angles P-C4'-P energy: -16.757
tors. eta vs tors. theta energy: -22.900
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 7
Temperature: 1.100000
Total energy: -152.557643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.557643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.557643 (E_RNA)
where:
Base-Base interactions energy: -80.430
where: short stacking energy: -58.524
Base-Backbone interact. energy: -0.267
local terms energy: -71.860295
where:
bonds (distance) C4'-P energy: -15.786
bonds (distance) P-C4' energy: -18.555
flat angles C4'-P-C4' energy: -13.243
flat angles P-C4'-P energy: -16.315
tors. eta vs tors. theta energy: -7.961
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 7
Temperature: 1.150000
Total energy: -173.792645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.792645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.792645 (E_RNA)
where:
Base-Base interactions energy: -104.149
where: short stacking energy: -64.745
Base-Backbone interact. energy: -0.235
local terms energy: -69.408842
where:
bonds (distance) C4'-P energy: -13.741
bonds (distance) P-C4' energy: -18.391
flat angles C4'-P-C4' energy: -15.533
flat angles P-C4'-P energy: -6.336
tors. eta vs tors. theta energy: -15.408
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 7
Temperature: 1.200000
Total energy: -143.593852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.593852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.593852 (E_RNA)
where:
Base-Base interactions energy: -74.914
where: short stacking energy: -55.267
Base-Backbone interact. energy: 0.662
local terms energy: -69.341854
where:
bonds (distance) C4'-P energy: -15.539
bonds (distance) P-C4' energy: -15.327
flat angles C4'-P-C4' energy: -20.152
flat angles P-C4'-P energy: -9.385
tors. eta vs tors. theta energy: -8.939
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 7
Temperature: 1.250000
Total energy: -119.907232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.907232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.907232 (E_RNA)
where:
Base-Base interactions energy: -52.714
where: short stacking energy: -47.054
Base-Backbone interact. energy: -0.310
local terms energy: -66.883319
where:
bonds (distance) C4'-P energy: -16.978
bonds (distance) P-C4' energy: -18.329
flat angles C4'-P-C4' energy: -13.348
flat angles P-C4'-P energy: -10.994
tors. eta vs tors. theta energy: -7.235
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 7
Temperature: 1.300000
Total energy: -108.906754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.906754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.906754 (E_RNA)
where:
Base-Base interactions energy: -42.363
where: short stacking energy: -42.363
Base-Backbone interact. energy: -0.332
local terms energy: -66.211655
where:
bonds (distance) C4'-P energy: -18.710
bonds (distance) P-C4' energy: -19.744
flat angles C4'-P-C4' energy: -12.557
flat angles P-C4'-P energy: -12.907
tors. eta vs tors. theta energy: -2.294
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 7
Temperature: 1.350000
Total energy: -104.434892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.434892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.434892 (E_RNA)
where:
Base-Base interactions energy: -33.605
where: short stacking energy: -30.823
Base-Backbone interact. energy: -0.334
local terms energy: -70.496387
where:
bonds (distance) C4'-P energy: -21.620
bonds (distance) P-C4' energy: -15.448
flat angles C4'-P-C4' energy: -20.821
flat angles P-C4'-P energy: -14.042
tors. eta vs tors. theta energy: 1.435
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 8
Temperature: 0.900000
Total energy: -259.191586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.191586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.191586 (E_RNA)
where:
Base-Base interactions energy: -171.016
where: short stacking energy: -77.121
Base-Backbone interact. energy: -0.213
local terms energy: -87.963170
where:
bonds (distance) C4'-P energy: -17.483
bonds (distance) P-C4' energy: -20.865
flat angles C4'-P-C4' energy: -16.222
flat angles P-C4'-P energy: -13.229
tors. eta vs tors. theta energy: -20.164
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 8
Temperature: 0.950000
Total energy: -216.216281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.216281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.216281 (E_RNA)
where:
Base-Base interactions energy: -134.440
where: short stacking energy: -62.274
Base-Backbone interact. energy: -0.703
local terms energy: -81.073943
where:
bonds (distance) C4'-P energy: -16.044
bonds (distance) P-C4' energy: -18.433
flat angles C4'-P-C4' energy: -19.633
flat angles P-C4'-P energy: -11.453
tors. eta vs tors. theta energy: -15.512
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 8
Temperature: 1.000000
Total energy: -249.316186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.316186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.316186 (E_RNA)
where:
Base-Base interactions energy: -163.231
where: short stacking energy: -86.109
Base-Backbone interact. energy: -0.013
local terms energy: -86.071891
where:
bonds (distance) C4'-P energy: -20.507
bonds (distance) P-C4' energy: -19.508
flat angles C4'-P-C4' energy: -18.533
flat angles P-C4'-P energy: -13.488
tors. eta vs tors. theta energy: -14.036
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 8
Temperature: 1.050000
Total energy: -219.989215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.989215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.989215 (E_RNA)
where:
Base-Base interactions energy: -135.827
where: short stacking energy: -67.185
Base-Backbone interact. energy: 0.303
local terms energy: -84.465363
where:
bonds (distance) C4'-P energy: -15.672
bonds (distance) P-C4' energy: -22.561
flat angles C4'-P-C4' energy: -19.907
flat angles P-C4'-P energy: -12.320
tors. eta vs tors. theta energy: -14.005
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 8
Temperature: 1.100000
Total energy: -191.017587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.017587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.017587 (E_RNA)
where:
Base-Base interactions energy: -114.571
where: short stacking energy: -69.869
Base-Backbone interact. energy: -0.229
local terms energy: -76.218041
where:
bonds (distance) C4'-P energy: -18.292
bonds (distance) P-C4' energy: -16.499
flat angles C4'-P-C4' energy: -17.687
flat angles P-C4'-P energy: -9.412
tors. eta vs tors. theta energy: -14.328
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 8
Temperature: 1.150000
Total energy: -168.907319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.907319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.907319 (E_RNA)
where:
Base-Base interactions energy: -91.745
where: short stacking energy: -55.888
Base-Backbone interact. energy: -0.102
local terms energy: -77.060287
where:
bonds (distance) C4'-P energy: -14.918
bonds (distance) P-C4' energy: -18.239
flat angles C4'-P-C4' energy: -21.487
flat angles P-C4'-P energy: -10.592
tors. eta vs tors. theta energy: -11.824
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 8
Temperature: 1.200000
Total energy: -144.848221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.848221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.848221 (E_RNA)
where:
Base-Base interactions energy: -63.440
where: short stacking energy: -63.440
Base-Backbone interact. energy: -0.094
local terms energy: -81.314237
where:
bonds (distance) C4'-P energy: -13.523
bonds (distance) P-C4' energy: -20.225
flat angles C4'-P-C4' energy: -21.168
flat angles P-C4'-P energy: -11.094
tors. eta vs tors. theta energy: -15.304
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 8
Temperature: 1.250000
Total energy: -125.792548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.792548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.792548 (E_RNA)
where:
Base-Base interactions energy: -52.275
where: short stacking energy: -49.801
Base-Backbone interact. energy: -0.122
local terms energy: -73.395386
where:
bonds (distance) C4'-P energy: -16.851
bonds (distance) P-C4' energy: -20.449
flat angles C4'-P-C4' energy: -19.378
flat angles P-C4'-P energy: -8.885
tors. eta vs tors. theta energy: -7.832
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 8
Temperature: 1.300000
Total energy: -101.048911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.048911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.048911 (E_RNA)
where:
Base-Base interactions energy: -31.990
where: short stacking energy: -31.159
Base-Backbone interact. energy: -0.213
local terms energy: -68.846170
where:
bonds (distance) C4'-P energy: -20.216
bonds (distance) P-C4' energy: -18.137
flat angles C4'-P-C4' energy: -13.444
flat angles P-C4'-P energy: -13.915
tors. eta vs tors. theta energy: -3.134
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 8
Temperature: 1.350000
Total energy: -105.058565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.058565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.058565 (E_RNA)
where:
Base-Base interactions energy: -39.933
where: short stacking energy: -36.375
Base-Backbone interact. energy: -0.143
local terms energy: -64.982148
where:
bonds (distance) C4'-P energy: -17.253
bonds (distance) P-C4' energy: -14.506
flat angles C4'-P-C4' energy: -18.000
flat angles P-C4'-P energy: -9.790
tors. eta vs tors. theta energy: -5.434
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 9
Temperature: 0.900000
Total energy: -264.039280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.039280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.039280 (E_RNA)
where:
Base-Base interactions energy: -166.101
where: short stacking energy: -82.026
Base-Backbone interact. energy: -0.957
local terms energy: -96.981680
where:
bonds (distance) C4'-P energy: -18.943
bonds (distance) P-C4' energy: -21.447
flat angles C4'-P-C4' energy: -22.330
flat angles P-C4'-P energy: -14.832
tors. eta vs tors. theta energy: -19.430
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 9
Temperature: 0.950000
Total energy: -278.169385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.169385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.169385 (E_RNA)
where:
Base-Base interactions energy: -183.817
where: short stacking energy: -93.067
Base-Backbone interact. energy: -0.486
local terms energy: -93.865650
where:
bonds (distance) C4'-P energy: -20.473
bonds (distance) P-C4' energy: -20.488
flat angles C4'-P-C4' energy: -19.153
flat angles P-C4'-P energy: -12.438
tors. eta vs tors. theta energy: -21.314
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 9
Temperature: 1.000000
Total energy: -185.950631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.950631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.950631 (E_RNA)
where:
Base-Base interactions energy: -111.255
where: short stacking energy: -44.530
Base-Backbone interact. energy: -0.436
local terms energy: -74.260139
where:
bonds (distance) C4'-P energy: -20.688
bonds (distance) P-C4' energy: -21.027
flat angles C4'-P-C4' energy: -12.462
flat angles P-C4'-P energy: -11.807
tors. eta vs tors. theta energy: -8.276
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 9
Temperature: 1.050000
Total energy: -260.413735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.413735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.413735 (E_RNA)
where:
Base-Base interactions energy: -178.999
where: short stacking energy: -70.903
Base-Backbone interact. energy: -0.628
local terms energy: -80.786444
where:
bonds (distance) C4'-P energy: -20.590
bonds (distance) P-C4' energy: -16.064
flat angles C4'-P-C4' energy: -20.157
flat angles P-C4'-P energy: -11.570
tors. eta vs tors. theta energy: -12.405
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 9
Temperature: 1.100000
Total energy: -209.245131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.245131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.245131 (E_RNA)
where:
Base-Base interactions energy: -140.541
where: short stacking energy: -75.063
Base-Backbone interact. energy: -0.148
local terms energy: -68.556031
where:
bonds (distance) C4'-P energy: -14.437
bonds (distance) P-C4' energy: -15.270
flat angles C4'-P-C4' energy: -21.228
flat angles P-C4'-P energy: -7.765
tors. eta vs tors. theta energy: -9.856
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 9
Temperature: 1.150000
Total energy: -200.197055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.197055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.197055 (E_RNA)
where:
Base-Base interactions energy: -124.791
where: short stacking energy: -55.602
Base-Backbone interact. energy: -1.130
local terms energy: -74.275703
where:
bonds (distance) C4'-P energy: -16.017
bonds (distance) P-C4' energy: -17.959
flat angles C4'-P-C4' energy: -17.391
flat angles P-C4'-P energy: -12.650
tors. eta vs tors. theta energy: -10.259
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 9
Temperature: 1.200000
Total energy: -132.801630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.801630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.801630 (E_RNA)
where:
Base-Base interactions energy: -59.967
where: short stacking energy: -52.502
Base-Backbone interact. energy: -0.502
local terms energy: -72.333244
where:
bonds (distance) C4'-P energy: -17.129
bonds (distance) P-C4' energy: -18.573
flat angles C4'-P-C4' energy: -18.420
flat angles P-C4'-P energy: -9.892
tors. eta vs tors. theta energy: -8.320
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 9
Temperature: 1.250000
Total energy: -118.043186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.043186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.043186 (E_RNA)
where:
Base-Base interactions energy: -57.354
where: short stacking energy: -50.248
Base-Backbone interact. energy: 1.600
local terms energy: -62.288497
where:
bonds (distance) C4'-P energy: -13.124
bonds (distance) P-C4' energy: -18.407
flat angles C4'-P-C4' energy: -11.978
flat angles P-C4'-P energy: -12.244
tors. eta vs tors. theta energy: -6.535
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 9
Temperature: 1.300000
Total energy: -96.309257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.309257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.309257 (E_RNA)
where:
Base-Base interactions energy: -37.871
where: short stacking energy: -37.697
Base-Backbone interact. energy: -0.136
local terms energy: -58.303139
where:
bonds (distance) C4'-P energy: -14.809
bonds (distance) P-C4' energy: -17.472
flat angles C4'-P-C4' energy: -17.315
flat angles P-C4'-P energy: -9.140
tors. eta vs tors. theta energy: 0.434
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 9
Temperature: 1.350000
Total energy: -111.889079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.889079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.889079 (E_RNA)
where:
Base-Base interactions energy: -54.945
where: short stacking energy: -38.643
Base-Backbone interact. energy: -0.239
local terms energy: -56.705064
where:
bonds (distance) C4'-P energy: -10.865
bonds (distance) P-C4' energy: -15.172
flat angles C4'-P-C4' energy: -18.949
flat angles P-C4'-P energy: -10.388
tors. eta vs tors. theta energy: -1.331
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 10
Temperature: 0.900000
Total energy: -285.437361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.437361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.437361 (E_RNA)
where:
Base-Base interactions energy: -194.434
where: short stacking energy: -88.170
Base-Backbone interact. energy: -0.644
local terms energy: -90.359214
where:
bonds (distance) C4'-P energy: -18.783
bonds (distance) P-C4' energy: -22.148
flat angles C4'-P-C4' energy: -19.125
flat angles P-C4'-P energy: -11.595
tors. eta vs tors. theta energy: -18.708
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 10
Temperature: 0.950000
Total energy: -265.489144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.489144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.489144 (E_RNA)
where:
Base-Base interactions energy: -170.196
where: short stacking energy: -96.485
Base-Backbone interact. energy: 0.348
local terms energy: -95.641429
where:
bonds (distance) C4'-P energy: -16.777
bonds (distance) P-C4' energy: -17.920
flat angles C4'-P-C4' energy: -18.255
flat angles P-C4'-P energy: -16.750
tors. eta vs tors. theta energy: -25.940
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 10
Temperature: 1.000000
Total energy: -285.587261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.587261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.587261 (E_RNA)
where:
Base-Base interactions energy: -201.745
where: short stacking energy: -74.187
Base-Backbone interact. energy: -0.327
local terms energy: -83.515237
where:
bonds (distance) C4'-P energy: -17.038
bonds (distance) P-C4' energy: -21.355
flat angles C4'-P-C4' energy: -20.082
flat angles P-C4'-P energy: -12.373
tors. eta vs tors. theta energy: -12.667
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 10
Temperature: 1.050000
Total energy: -191.201466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.201466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.201466 (E_RNA)
where:
Base-Base interactions energy: -111.138
where: short stacking energy: -48.257
Base-Backbone interact. energy: -0.689
local terms energy: -79.374399
where:
bonds (distance) C4'-P energy: -17.674
bonds (distance) P-C4' energy: -17.720
flat angles C4'-P-C4' energy: -15.197
flat angles P-C4'-P energy: -15.431
tors. eta vs tors. theta energy: -13.352
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 10
Temperature: 1.100000
Total energy: -231.473620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.473620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.473620 (E_RNA)
where:
Base-Base interactions energy: -145.172
where: short stacking energy: -73.087
Base-Backbone interact. energy: -0.846
local terms energy: -85.455899
where:
bonds (distance) C4'-P energy: -14.034
bonds (distance) P-C4' energy: -14.854
flat angles C4'-P-C4' energy: -22.047
flat angles P-C4'-P energy: -15.007
tors. eta vs tors. theta energy: -19.514
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 10
Temperature: 1.150000
Total energy: -189.138603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.138603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.138603 (E_RNA)
where:
Base-Base interactions energy: -115.085
where: short stacking energy: -56.077
Base-Backbone interact. energy: 1.122
local terms energy: -75.175991
where:
bonds (distance) C4'-P energy: -11.216
bonds (distance) P-C4' energy: -22.020
flat angles C4'-P-C4' energy: -16.698
flat angles P-C4'-P energy: -13.800
tors. eta vs tors. theta energy: -11.442
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 10
Temperature: 1.200000
Total energy: -154.561998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.561998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.561998 (E_RNA)
where:
Base-Base interactions energy: -78.691
where: short stacking energy: -37.598
Base-Backbone interact. energy: -1.650
local terms energy: -74.221013
where:
bonds (distance) C4'-P energy: -21.852
bonds (distance) P-C4' energy: -20.480
flat angles C4'-P-C4' energy: -18.259
flat angles P-C4'-P energy: -7.308
tors. eta vs tors. theta energy: -6.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 10
Temperature: 1.250000
Total energy: -102.782138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.782138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.782138 (E_RNA)
where:
Base-Base interactions energy: -45.348
where: short stacking energy: -35.447
Base-Backbone interact. energy: 0.232
local terms energy: -57.665358
where:
bonds (distance) C4'-P energy: -22.895
bonds (distance) P-C4' energy: -14.541
flat angles C4'-P-C4' energy: -15.930
flat angles P-C4'-P energy: -5.005
tors. eta vs tors. theta energy: 0.707
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 10
Temperature: 1.300000
Total energy: -113.064908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.064908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.064908 (E_RNA)
where:
Base-Base interactions energy: -52.087
where: short stacking energy: -42.554
Base-Backbone interact. energy: -0.295
local terms energy: -60.683544
where:
bonds (distance) C4'-P energy: -15.841
bonds (distance) P-C4' energy: -18.379
flat angles C4'-P-C4' energy: -14.171
flat angles P-C4'-P energy: -8.384
tors. eta vs tors. theta energy: -3.908
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 10
Temperature: 1.350000
Total energy: -108.707599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.707599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.707599 (E_RNA)
where:
Base-Base interactions energy: -60.444
where: short stacking energy: -45.426
Base-Backbone interact. energy: -0.162
local terms energy: -48.101460
where:
bonds (distance) C4'-P energy: -13.113
bonds (distance) P-C4' energy: -16.728
flat angles C4'-P-C4' energy: -11.593
flat angles P-C4'-P energy: -5.120
tors. eta vs tors. theta energy: -1.547
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 11
Temperature: 0.900000
Total energy: -278.669469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.669469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.669469 (E_RNA)
where:
Base-Base interactions energy: -188.484
where: short stacking energy: -81.983
Base-Backbone interact. energy: -0.300
local terms energy: -89.884768
where:
bonds (distance) C4'-P energy: -15.476
bonds (distance) P-C4' energy: -22.947
flat angles C4'-P-C4' energy: -23.379
flat angles P-C4'-P energy: -10.794
tors. eta vs tors. theta energy: -17.289
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 11
Temperature: 0.950000
Total energy: -286.182249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.182249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.182249 (E_RNA)
where:
Base-Base interactions energy: -205.057
where: short stacking energy: -72.026
Base-Backbone interact. energy: 0.076
local terms energy: -81.200914
where:
bonds (distance) C4'-P energy: -19.965
bonds (distance) P-C4' energy: -18.262
flat angles C4'-P-C4' energy: -19.046
flat angles P-C4'-P energy: -11.334
tors. eta vs tors. theta energy: -12.594
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 11
Temperature: 1.000000
Total energy: -276.527090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.527090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.527090 (E_RNA)
where:
Base-Base interactions energy: -185.215
where: short stacking energy: -100.419
Base-Backbone interact. energy: -0.121
local terms energy: -91.190337
where:
bonds (distance) C4'-P energy: -18.639
bonds (distance) P-C4' energy: -19.148
flat angles C4'-P-C4' energy: -18.325
flat angles P-C4'-P energy: -10.322
tors. eta vs tors. theta energy: -24.757
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 11
Temperature: 1.050000
Total energy: -242.087641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.087641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.087641 (E_RNA)
where:
Base-Base interactions energy: -151.313
where: short stacking energy: -82.328
Base-Backbone interact. energy: 0.318
local terms energy: -91.092231
where:
bonds (distance) C4'-P energy: -18.730
bonds (distance) P-C4' energy: -18.503
flat angles C4'-P-C4' energy: -22.972
flat angles P-C4'-P energy: -10.627
tors. eta vs tors. theta energy: -20.260
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 11
Temperature: 1.100000
Total energy: -165.616840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.616840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.616840 (E_RNA)
where:
Base-Base interactions energy: -84.504
where: short stacking energy: -63.246
Base-Backbone interact. energy: -0.238
local terms energy: -80.875263
where:
bonds (distance) C4'-P energy: -17.584
bonds (distance) P-C4' energy: -18.706
flat angles C4'-P-C4' energy: -19.646
flat angles P-C4'-P energy: -10.999
tors. eta vs tors. theta energy: -13.940
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 11
Temperature: 1.150000
Total energy: -207.953834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.953834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.953834 (E_RNA)
where:
Base-Base interactions energy: -135.043
where: short stacking energy: -65.404
Base-Backbone interact. energy: 1.206
local terms energy: -74.117001
where:
bonds (distance) C4'-P energy: -15.955
bonds (distance) P-C4' energy: -18.451
flat angles C4'-P-C4' energy: -19.176
flat angles P-C4'-P energy: -13.402
tors. eta vs tors. theta energy: -7.133
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 11
Temperature: 1.200000
Total energy: -183.717193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.717193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.717193 (E_RNA)
where:
Base-Base interactions energy: -119.061
where: short stacking energy: -59.842
Base-Backbone interact. energy: 1.064
local terms energy: -65.720173
where:
bonds (distance) C4'-P energy: -16.371
bonds (distance) P-C4' energy: -13.711
flat angles C4'-P-C4' energy: -14.011
flat angles P-C4'-P energy: -7.534
tors. eta vs tors. theta energy: -14.093
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 11
Temperature: 1.250000
Total energy: -147.476529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.476529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.476529 (E_RNA)
where:
Base-Base interactions energy: -83.202
where: short stacking energy: -50.480
Base-Backbone interact. energy: -0.142
local terms energy: -64.132758
where:
bonds (distance) C4'-P energy: -19.329
bonds (distance) P-C4' energy: -18.053
flat angles C4'-P-C4' energy: -11.354
flat angles P-C4'-P energy: -9.633
tors. eta vs tors. theta energy: -5.763
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 11
Temperature: 1.300000
Total energy: -100.668654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.668654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.668654 (E_RNA)
where:
Base-Base interactions energy: -38.196
where: short stacking energy: -27.293
Base-Backbone interact. energy: -0.383
local terms energy: -62.089138
where:
bonds (distance) C4'-P energy: -15.753
bonds (distance) P-C4' energy: -17.200
flat angles C4'-P-C4' energy: -17.111
flat angles P-C4'-P energy: -12.765
tors. eta vs tors. theta energy: 0.739
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 11
Temperature: 1.350000
Total energy: -102.060462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.060462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.060462 (E_RNA)
where:
Base-Base interactions energy: -38.294
where: short stacking energy: -35.337
Base-Backbone interact. energy: -0.192
local terms energy: -63.574594
where:
bonds (distance) C4'-P energy: -16.238
bonds (distance) P-C4' energy: -15.246
flat angles C4'-P-C4' energy: -18.032
flat angles P-C4'-P energy: -11.708
tors. eta vs tors. theta energy: -2.351
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 12
Temperature: 0.900000
Total energy: -308.891785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.891785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.891785 (E_RNA)
where:
Base-Base interactions energy: -224.740
where: short stacking energy: -85.331
Base-Backbone interact. energy: -0.464
local terms energy: -83.687886
where:
bonds (distance) C4'-P energy: -21.003
bonds (distance) P-C4' energy: -18.007
flat angles C4'-P-C4' energy: -19.784
flat angles P-C4'-P energy: -12.057
tors. eta vs tors. theta energy: -12.836
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 12
Temperature: 0.950000
Total energy: -278.359057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.359057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.359057 (E_RNA)
where:
Base-Base interactions energy: -189.751
where: short stacking energy: -89.973
Base-Backbone interact. energy: -2.004
local terms energy: -86.604050
where:
bonds (distance) C4'-P energy: -17.197
bonds (distance) P-C4' energy: -17.501
flat angles C4'-P-C4' energy: -17.707
flat angles P-C4'-P energy: -13.547
tors. eta vs tors. theta energy: -20.652
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 12
Temperature: 1.000000
Total energy: -285.607676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.607676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.607676 (E_RNA)
where:
Base-Base interactions energy: -191.641
where: short stacking energy: -99.022
Base-Backbone interact. energy: -0.042
local terms energy: -93.923736
where:
bonds (distance) C4'-P energy: -19.927
bonds (distance) P-C4' energy: -19.116
flat angles C4'-P-C4' energy: -16.865
flat angles P-C4'-P energy: -6.959
tors. eta vs tors. theta energy: -31.057
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 12
Temperature: 1.050000
Total energy: -243.503249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.503249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.503249 (E_RNA)
where:
Base-Base interactions energy: -155.714
where: short stacking energy: -81.181
Base-Backbone interact. energy: -1.778
local terms energy: -86.011854
where:
bonds (distance) C4'-P energy: -17.198
bonds (distance) P-C4' energy: -15.283
flat angles C4'-P-C4' energy: -21.404
flat angles P-C4'-P energy: -11.971
tors. eta vs tors. theta energy: -20.156
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 12
Temperature: 1.100000
Total energy: -165.318840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.318840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.318840 (E_RNA)
where:
Base-Base interactions energy: -81.511
where: short stacking energy: -59.030
Base-Backbone interact. energy: 0.056
local terms energy: -83.864315
where:
bonds (distance) C4'-P energy: -15.585
bonds (distance) P-C4' energy: -17.834
flat angles C4'-P-C4' energy: -21.368
flat angles P-C4'-P energy: -16.760
tors. eta vs tors. theta energy: -12.317
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 12
Temperature: 1.150000
Total energy: -194.117257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.117257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.117257 (E_RNA)
where:
Base-Base interactions energy: -121.602
where: short stacking energy: -51.756
Base-Backbone interact. energy: -0.147
local terms energy: -72.368465
where:
bonds (distance) C4'-P energy: -18.717
bonds (distance) P-C4' energy: -19.161
flat angles C4'-P-C4' energy: -17.559
flat angles P-C4'-P energy: -9.372
tors. eta vs tors. theta energy: -7.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 12
Temperature: 1.200000
Total energy: -178.671620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.671620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.671620 (E_RNA)
where:
Base-Base interactions energy: -100.517
where: short stacking energy: -55.245
Base-Backbone interact. energy: -0.118
local terms energy: -78.036123
where:
bonds (distance) C4'-P energy: -16.931
bonds (distance) P-C4' energy: -18.570
flat angles C4'-P-C4' energy: -18.063
flat angles P-C4'-P energy: -13.064
tors. eta vs tors. theta energy: -11.409
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 12
Temperature: 1.250000
Total energy: -166.197189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.197189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.197189 (E_RNA)
where:
Base-Base interactions energy: -100.434
where: short stacking energy: -51.122
Base-Backbone interact. energy: -0.096
local terms energy: -65.667601
where:
bonds (distance) C4'-P energy: -12.459
bonds (distance) P-C4' energy: -16.851
flat angles C4'-P-C4' energy: -16.544
flat angles P-C4'-P energy: -8.165
tors. eta vs tors. theta energy: -11.649
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 12
Temperature: 1.300000
Total energy: -124.472080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.472080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.472080 (E_RNA)
where:
Base-Base interactions energy: -59.730
where: short stacking energy: -39.580
Base-Backbone interact. energy: -0.143
local terms energy: -64.599156
where:
bonds (distance) C4'-P energy: -19.265
bonds (distance) P-C4' energy: -15.838
flat angles C4'-P-C4' energy: -15.081
flat angles P-C4'-P energy: -12.258
tors. eta vs tors. theta energy: -2.157
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 12
Temperature: 1.350000
Total energy: -111.920297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.920297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.920297 (E_RNA)
where:
Base-Base interactions energy: -44.353
where: short stacking energy: -33.574
Base-Backbone interact. energy: 0.024
local terms energy: -67.591118
where:
bonds (distance) C4'-P energy: -16.501
bonds (distance) P-C4' energy: -18.187
flat angles C4'-P-C4' energy: -17.172
flat angles P-C4'-P energy: -13.609
tors. eta vs tors. theta energy: -2.123
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 13
Temperature: 0.900000
Total energy: -300.101320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.101320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.101320 (E_RNA)
where:
Base-Base interactions energy: -209.443
where: short stacking energy: -85.849
Base-Backbone interact. energy: -1.879
local terms energy: -88.779385
where:
bonds (distance) C4'-P energy: -16.342
bonds (distance) P-C4' energy: -19.738
flat angles C4'-P-C4' energy: -21.493
flat angles P-C4'-P energy: -15.671
tors. eta vs tors. theta energy: -15.535
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 13
Temperature: 0.950000
Total energy: -289.854204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.854204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.854204 (E_RNA)
where:
Base-Base interactions energy: -190.442
where: short stacking energy: -101.982
Base-Backbone interact. energy: -0.137
local terms energy: -99.275115
where:
bonds (distance) C4'-P energy: -18.060
bonds (distance) P-C4' energy: -20.617
flat angles C4'-P-C4' energy: -16.900
flat angles P-C4'-P energy: -13.852
tors. eta vs tors. theta energy: -29.846
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 13
Temperature: 1.000000
Total energy: -269.518092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.518092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.518092 (E_RNA)
where:
Base-Base interactions energy: -166.902
where: short stacking energy: -83.840
Base-Backbone interact. energy: -0.030
local terms energy: -102.586356
where:
bonds (distance) C4'-P energy: -20.581
bonds (distance) P-C4' energy: -20.690
flat angles C4'-P-C4' energy: -21.045
flat angles P-C4'-P energy: -18.726
tors. eta vs tors. theta energy: -21.544
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 13
Temperature: 1.050000
Total energy: -277.792286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.792286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.792286 (E_RNA)
where:
Base-Base interactions energy: -186.171
where: short stacking energy: -92.436
Base-Backbone interact. energy: -0.137
local terms energy: -91.484411
where:
bonds (distance) C4'-P energy: -19.455
bonds (distance) P-C4' energy: -21.495
flat angles C4'-P-C4' energy: -18.973
flat angles P-C4'-P energy: -6.698
tors. eta vs tors. theta energy: -24.864
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 13
Temperature: 1.100000
Total energy: -154.720616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.720616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.720616 (E_RNA)
where:
Base-Base interactions energy: -70.992
where: short stacking energy: -43.991
Base-Backbone interact. energy: -0.381
local terms energy: -83.347106
where:
bonds (distance) C4'-P energy: -22.559
bonds (distance) P-C4' energy: -17.623
flat angles C4'-P-C4' energy: -21.199
flat angles P-C4'-P energy: -10.838
tors. eta vs tors. theta energy: -11.128
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 13
Temperature: 1.150000
Total energy: -182.237954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.237954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.237954 (E_RNA)
where:
Base-Base interactions energy: -104.500
where: short stacking energy: -63.194
Base-Backbone interact. energy: -0.314
local terms energy: -77.423523
where:
bonds (distance) C4'-P energy: -14.756
bonds (distance) P-C4' energy: -22.313
flat angles C4'-P-C4' energy: -16.770
flat angles P-C4'-P energy: -12.042
tors. eta vs tors. theta energy: -11.542
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 13
Temperature: 1.200000
Total energy: -176.875029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.875029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.875029 (E_RNA)
where:
Base-Base interactions energy: -93.744
where: short stacking energy: -56.439
Base-Backbone interact. energy: -0.926
local terms energy: -82.205542
where:
bonds (distance) C4'-P energy: -18.798
bonds (distance) P-C4' energy: -23.353
flat angles C4'-P-C4' energy: -18.760
flat angles P-C4'-P energy: -6.853
tors. eta vs tors. theta energy: -14.441
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 13
Temperature: 1.250000
Total energy: -169.704663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.704663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.704663 (E_RNA)
where:
Base-Base interactions energy: -101.647
where: short stacking energy: -57.443
Base-Backbone interact. energy: -0.227
local terms energy: -67.830503
where:
bonds (distance) C4'-P energy: -18.722
bonds (distance) P-C4' energy: -19.599
flat angles C4'-P-C4' energy: -16.127
flat angles P-C4'-P energy: -6.812
tors. eta vs tors. theta energy: -6.570
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 13
Temperature: 1.300000
Total energy: -112.682404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.682404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.682404 (E_RNA)
where:
Base-Base interactions energy: -46.637
where: short stacking energy: -46.462
Base-Backbone interact. energy: -0.105
local terms energy: -65.940500
where:
bonds (distance) C4'-P energy: -19.103
bonds (distance) P-C4' energy: -14.617
flat angles C4'-P-C4' energy: -16.786
flat angles P-C4'-P energy: -10.358
tors. eta vs tors. theta energy: -5.077
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 13
Temperature: 1.350000
Total energy: -103.354119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.354119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.354119 (E_RNA)
where:
Base-Base interactions energy: -46.975
where: short stacking energy: -42.024
Base-Backbone interact. energy: -0.397
local terms energy: -55.982779
where:
bonds (distance) C4'-P energy: -16.640
bonds (distance) P-C4' energy: -16.030
flat angles C4'-P-C4' energy: -15.456
flat angles P-C4'-P energy: -10.110
tors. eta vs tors. theta energy: 2.254
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 14
Temperature: 0.900000
Total energy: -290.254465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.254465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.254465 (E_RNA)
where:
Base-Base interactions energy: -181.086
where: short stacking energy: -104.369
Base-Backbone interact. energy: -0.275
local terms energy: -108.893027
where:
bonds (distance) C4'-P energy: -16.872
bonds (distance) P-C4' energy: -23.930
flat angles C4'-P-C4' energy: -23.509
flat angles P-C4'-P energy: -16.091
tors. eta vs tors. theta energy: -28.491
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 14
Temperature: 0.950000
Total energy: -280.429313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.429313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.429313 (E_RNA)
where:
Base-Base interactions energy: -199.401
where: short stacking energy: -69.572
Base-Backbone interact. energy: 1.336
local terms energy: -82.364112
where:
bonds (distance) C4'-P energy: -16.985
bonds (distance) P-C4' energy: -15.159
flat angles C4'-P-C4' energy: -22.916
flat angles P-C4'-P energy: -14.806
tors. eta vs tors. theta energy: -12.497
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 14
Temperature: 1.000000
Total energy: -285.057144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.057144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.057144 (E_RNA)
where:
Base-Base interactions energy: -198.712
where: short stacking energy: -87.256
Base-Backbone interact. energy: -0.623
local terms energy: -85.721641
where:
bonds (distance) C4'-P energy: -14.719
bonds (distance) P-C4' energy: -19.620
flat angles C4'-P-C4' energy: -21.575
flat angles P-C4'-P energy: -8.073
tors. eta vs tors. theta energy: -21.735
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 14
Temperature: 1.050000
Total energy: -264.274524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.274524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.274524 (E_RNA)
where:
Base-Base interactions energy: -177.973
where: short stacking energy: -69.970
Base-Backbone interact. energy: -1.522
local terms energy: -84.780044
where:
bonds (distance) C4'-P energy: -20.797
bonds (distance) P-C4' energy: -16.254
flat angles C4'-P-C4' energy: -19.558
flat angles P-C4'-P energy: -9.327
tors. eta vs tors. theta energy: -18.844
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 14
Temperature: 1.100000
Total energy: -181.203109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.203109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.203109 (E_RNA)
where:
Base-Base interactions energy: -108.595
where: short stacking energy: -54.757
Base-Backbone interact. energy: -0.822
local terms energy: -71.786595
where:
bonds (distance) C4'-P energy: -16.313
bonds (distance) P-C4' energy: -17.134
flat angles C4'-P-C4' energy: -16.268
flat angles P-C4'-P energy: -10.523
tors. eta vs tors. theta energy: -11.549
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 14
Temperature: 1.150000
Total energy: -131.272041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.272041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.272041 (E_RNA)
where:
Base-Base interactions energy: -59.915
where: short stacking energy: -58.214
Base-Backbone interact. energy: -0.037
local terms energy: -71.320226
where:
bonds (distance) C4'-P energy: -13.852
bonds (distance) P-C4' energy: -18.796
flat angles C4'-P-C4' energy: -19.077
flat angles P-C4'-P energy: -12.575
tors. eta vs tors. theta energy: -7.019
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 14
Temperature: 1.200000
Total energy: -160.138470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.138470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.138470 (E_RNA)
where:
Base-Base interactions energy: -87.778
where: short stacking energy: -57.146
Base-Backbone interact. energy: -0.313
local terms energy: -72.047564
where:
bonds (distance) C4'-P energy: -16.470
bonds (distance) P-C4' energy: -17.025
flat angles C4'-P-C4' energy: -13.463
flat angles P-C4'-P energy: -10.777
tors. eta vs tors. theta energy: -14.313
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 14
Temperature: 1.250000
Total energy: -185.007680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.007680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.007680 (E_RNA)
where:
Base-Base interactions energy: -107.128
where: short stacking energy: -60.163
Base-Backbone interact. energy: -0.087
local terms energy: -77.792777
where:
bonds (distance) C4'-P energy: -16.458
bonds (distance) P-C4' energy: -17.307
flat angles C4'-P-C4' energy: -18.593
flat angles P-C4'-P energy: -10.042
tors. eta vs tors. theta energy: -15.393
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 14
Temperature: 1.300000
Total energy: -111.357262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.357262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.357262 (E_RNA)
where:
Base-Base interactions energy: -40.200
where: short stacking energy: -35.262
Base-Backbone interact. energy: -0.880
local terms energy: -70.276831
where:
bonds (distance) C4'-P energy: -19.613
bonds (distance) P-C4' energy: -17.403
flat angles C4'-P-C4' energy: -16.692
flat angles P-C4'-P energy: -12.989
tors. eta vs tors. theta energy: -3.580
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 14
Temperature: 1.350000
Total energy: -106.642409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.642409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.642409 (E_RNA)
where:
Base-Base interactions energy: -44.932
where: short stacking energy: -26.102
Base-Backbone interact. energy: -0.545
local terms energy: -61.165037
where:
bonds (distance) C4'-P energy: -16.859
bonds (distance) P-C4' energy: -18.778
flat angles C4'-P-C4' energy: -18.166
flat angles P-C4'-P energy: -11.557
tors. eta vs tors. theta energy: 4.195
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 15
Temperature: 0.900000
Total energy: -294.974784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.974784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.974784 (E_RNA)
where:
Base-Base interactions energy: -187.734
where: short stacking energy: -105.340
Base-Backbone interact. energy: -0.471
local terms energy: -106.769893
where:
bonds (distance) C4'-P energy: -22.225
bonds (distance) P-C4' energy: -17.539
flat angles C4'-P-C4' energy: -20.648
flat angles P-C4'-P energy: -17.095
tors. eta vs tors. theta energy: -29.263
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 15
Temperature: 0.950000
Total energy: -281.270618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.270618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.270618 (E_RNA)
where:
Base-Base interactions energy: -190.652
where: short stacking energy: -85.108
Base-Backbone interact. energy: -0.012
local terms energy: -90.606427
where:
bonds (distance) C4'-P energy: -19.663
bonds (distance) P-C4' energy: -17.078
flat angles C4'-P-C4' energy: -20.247
flat angles P-C4'-P energy: -11.811
tors. eta vs tors. theta energy: -21.808
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 15
Temperature: 1.000000
Total energy: -280.293293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.293293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.293293 (E_RNA)
where:
Base-Base interactions energy: -192.549
where: short stacking energy: -81.778
Base-Backbone interact. energy: -0.141
local terms energy: -87.603695
where:
bonds (distance) C4'-P energy: -17.838
bonds (distance) P-C4' energy: -18.970
flat angles C4'-P-C4' energy: -21.935
flat angles P-C4'-P energy: -13.029
tors. eta vs tors. theta energy: -15.832
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 15
Temperature: 1.050000
Total energy: -280.379790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.379790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.379790 (E_RNA)
where:
Base-Base interactions energy: -190.426
where: short stacking energy: -91.311
Base-Backbone interact. energy: -0.854
local terms energy: -89.099111
where:
bonds (distance) C4'-P energy: -20.559
bonds (distance) P-C4' energy: -20.642
flat angles C4'-P-C4' energy: -17.027
flat angles P-C4'-P energy: -11.225
tors. eta vs tors. theta energy: -19.645
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 15
Temperature: 1.100000
Total energy: -212.541938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.541938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.541938 (E_RNA)
where:
Base-Base interactions energy: -134.485
where: short stacking energy: -76.284
Base-Backbone interact. energy: 1.067
local terms energy: -79.123405
where:
bonds (distance) C4'-P energy: -15.100
bonds (distance) P-C4' energy: -18.435
flat angles C4'-P-C4' energy: -16.868
flat angles P-C4'-P energy: -14.367
tors. eta vs tors. theta energy: -14.353
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 15
Temperature: 1.150000
Total energy: -211.321909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.321909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.321909 (E_RNA)
where:
Base-Base interactions energy: -134.813
where: short stacking energy: -56.527
Base-Backbone interact. energy: -0.491
local terms energy: -76.018669
where:
bonds (distance) C4'-P energy: -20.598
bonds (distance) P-C4' energy: -17.245
flat angles C4'-P-C4' energy: -20.326
flat angles P-C4'-P energy: -11.320
tors. eta vs tors. theta energy: -6.530
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 15
Temperature: 1.200000
Total energy: -121.418952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.418952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.418952 (E_RNA)
where:
Base-Base interactions energy: -52.973
where: short stacking energy: -52.973
Base-Backbone interact. energy: -0.072
local terms energy: -68.373890
where:
bonds (distance) C4'-P energy: -12.212
bonds (distance) P-C4' energy: -20.192
flat angles C4'-P-C4' energy: -16.869
flat angles P-C4'-P energy: -13.100
tors. eta vs tors. theta energy: -6.002
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 15
Temperature: 1.250000
Total energy: -192.542538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.542538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.542538 (E_RNA)
where:
Base-Base interactions energy: -120.910
where: short stacking energy: -58.443
Base-Backbone interact. energy: -0.169
local terms energy: -71.463703
where:
bonds (distance) C4'-P energy: -15.911
bonds (distance) P-C4' energy: -20.310
flat angles C4'-P-C4' energy: -13.035
flat angles P-C4'-P energy: -12.583
tors. eta vs tors. theta energy: -9.625
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 15
Temperature: 1.300000
Total energy: -117.831882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.831882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.831882 (E_RNA)
where:
Base-Base interactions energy: -54.763
where: short stacking energy: -42.387
Base-Backbone interact. energy: -0.273
local terms energy: -62.795034
where:
bonds (distance) C4'-P energy: -17.337
bonds (distance) P-C4' energy: -20.355
flat angles C4'-P-C4' energy: -15.272
flat angles P-C4'-P energy: -7.516
tors. eta vs tors. theta energy: -2.316
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 15
Temperature: 1.350000
Total energy: -104.273852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.273852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.273852 (E_RNA)
where:
Base-Base interactions energy: -47.414
where: short stacking energy: -38.049
Base-Backbone interact. energy: 1.225
local terms energy: -58.085366
where:
bonds (distance) C4'-P energy: -10.004
bonds (distance) P-C4' energy: -17.369
flat angles C4'-P-C4' energy: -14.310
flat angles P-C4'-P energy: -10.712
tors. eta vs tors. theta energy: -5.691
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 16
Temperature: 0.900000
Total energy: -294.506897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.506897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.506897 (E_RNA)
where:
Base-Base interactions energy: -197.769
where: short stacking energy: -94.494
Base-Backbone interact. energy: -0.993
local terms energy: -95.744760
where:
bonds (distance) C4'-P energy: -21.931
bonds (distance) P-C4' energy: -14.022
flat angles C4'-P-C4' energy: -21.004
flat angles P-C4'-P energy: -15.748
tors. eta vs tors. theta energy: -23.039
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 16
Temperature: 0.950000
Total energy: -285.345783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.345783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.345783 (E_RNA)
where:
Base-Base interactions energy: -184.790
where: short stacking energy: -107.139
Base-Backbone interact. energy: -0.015
local terms energy: -100.541007
where:
bonds (distance) C4'-P energy: -17.334
bonds (distance) P-C4' energy: -17.538
flat angles C4'-P-C4' energy: -22.706
flat angles P-C4'-P energy: -13.784
tors. eta vs tors. theta energy: -29.178
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 16
Temperature: 1.000000
Total energy: -298.165372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.165372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.165372 (E_RNA)
where:
Base-Base interactions energy: -215.359
where: short stacking energy: -89.402
Base-Backbone interact. energy: -0.310
local terms energy: -82.496829
where:
bonds (distance) C4'-P energy: -12.940
bonds (distance) P-C4' energy: -20.121
flat angles C4'-P-C4' energy: -20.765
flat angles P-C4'-P energy: -12.000
tors. eta vs tors. theta energy: -16.671
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 16
Temperature: 1.050000
Total energy: -290.747935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.747935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.747935 (E_RNA)
where:
Base-Base interactions energy: -199.504
where: short stacking energy: -88.193
Base-Backbone interact. energy: -1.428
local terms energy: -89.815472
where:
bonds (distance) C4'-P energy: -14.966
bonds (distance) P-C4' energy: -21.824
flat angles C4'-P-C4' energy: -17.053
flat angles P-C4'-P energy: -13.210
tors. eta vs tors. theta energy: -22.763
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 16
Temperature: 1.100000
Total energy: -230.308785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.308785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.308785 (E_RNA)
where:
Base-Base interactions energy: -155.598
where: short stacking energy: -67.389
Base-Backbone interact. energy: -0.150
local terms energy: -74.560342
where:
bonds (distance) C4'-P energy: -13.819
bonds (distance) P-C4' energy: -16.728
flat angles C4'-P-C4' energy: -21.404
flat angles P-C4'-P energy: -10.567
tors. eta vs tors. theta energy: -12.043
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 16
Temperature: 1.150000
Total energy: -184.619759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.619759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.619759 (E_RNA)
where:
Base-Base interactions energy: -122.854
where: short stacking energy: -59.466
Base-Backbone interact. energy: -0.938
local terms energy: -60.828075
where:
bonds (distance) C4'-P energy: -13.635
bonds (distance) P-C4' energy: -15.182
flat angles C4'-P-C4' energy: -12.869
flat angles P-C4'-P energy: -10.108
tors. eta vs tors. theta energy: -9.034
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 16
Temperature: 1.200000
Total energy: -228.706534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.706534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.706534 (E_RNA)
where:
Base-Base interactions energy: -151.568
where: short stacking energy: -68.700
Base-Backbone interact. energy: -0.231
local terms energy: -76.907832
where:
bonds (distance) C4'-P energy: -14.214
bonds (distance) P-C4' energy: -19.763
flat angles C4'-P-C4' energy: -17.432
flat angles P-C4'-P energy: -9.970
tors. eta vs tors. theta energy: -15.529
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 16
Temperature: 1.250000
Total energy: -141.622332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.622332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.622332 (E_RNA)
where:
Base-Base interactions energy: -66.547
where: short stacking energy: -65.818
Base-Backbone interact. energy: -0.082
local terms energy: -74.992961
where:
bonds (distance) C4'-P energy: -13.689
bonds (distance) P-C4' energy: -19.977
flat angles C4'-P-C4' energy: -19.395
flat angles P-C4'-P energy: -4.928
tors. eta vs tors. theta energy: -17.004
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 16
Temperature: 1.300000
Total energy: -113.697394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.697394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.697394 (E_RNA)
where:
Base-Base interactions energy: -37.732
where: short stacking energy: -37.732
Base-Backbone interact. energy: 0.676
local terms energy: -76.641847
where:
bonds (distance) C4'-P energy: -15.410
bonds (distance) P-C4' energy: -19.324
flat angles C4'-P-C4' energy: -21.056
flat angles P-C4'-P energy: -11.526
tors. eta vs tors. theta energy: -9.326
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 16
Temperature: 1.350000
Total energy: -99.270494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.270494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.270494 (E_RNA)
where:
Base-Base interactions energy: -35.902
where: short stacking energy: -31.776
Base-Backbone interact. energy: 0.901
local terms energy: -64.269628
where:
bonds (distance) C4'-P energy: -21.446
bonds (distance) P-C4' energy: -15.547
flat angles C4'-P-C4' energy: -15.342
flat angles P-C4'-P energy: -9.064
tors. eta vs tors. theta energy: -2.871
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 17
Temperature: 0.900000
Total energy: -298.427416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.427416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.427416 (E_RNA)
where:
Base-Base interactions energy: -198.358
where: short stacking energy: -91.216
Base-Backbone interact. energy: -1.743
local terms energy: -98.326829
where:
bonds (distance) C4'-P energy: -18.813
bonds (distance) P-C4' energy: -16.520
flat angles C4'-P-C4' energy: -19.577
flat angles P-C4'-P energy: -18.696
tors. eta vs tors. theta energy: -24.720
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 17
Temperature: 0.950000
Total energy: -300.979800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.979800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.979800 (E_RNA)
where:
Base-Base interactions energy: -207.555
where: short stacking energy: -87.473
Base-Backbone interact. energy: -1.696
local terms energy: -91.728427
where:
bonds (distance) C4'-P energy: -19.011
bonds (distance) P-C4' energy: -22.193
flat angles C4'-P-C4' energy: -16.412
flat angles P-C4'-P energy: -16.679
tors. eta vs tors. theta energy: -17.433
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 17
Temperature: 1.000000
Total energy: -277.079083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.079083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.079083 (E_RNA)
where:
Base-Base interactions energy: -182.702
where: short stacking energy: -91.751
Base-Backbone interact. energy: -0.005
local terms energy: -94.372777
where:
bonds (distance) C4'-P energy: -15.641
bonds (distance) P-C4' energy: -18.336
flat angles C4'-P-C4' energy: -17.077
flat angles P-C4'-P energy: -14.979
tors. eta vs tors. theta energy: -28.339
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 17
Temperature: 1.050000
Total energy: -293.036176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.036176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.036176 (E_RNA)
where:
Base-Base interactions energy: -213.116
where: short stacking energy: -92.192
Base-Backbone interact. energy: -0.301
local terms energy: -79.618512
where:
bonds (distance) C4'-P energy: -14.998
bonds (distance) P-C4' energy: -19.194
flat angles C4'-P-C4' energy: -19.919
flat angles P-C4'-P energy: -0.900
tors. eta vs tors. theta energy: -24.608
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 17
Temperature: 1.100000
Total energy: -212.016285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.016285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.016285 (E_RNA)
where:
Base-Base interactions energy: -136.858
where: short stacking energy: -64.851
Base-Backbone interact. energy: 0.419
local terms energy: -75.577412
where:
bonds (distance) C4'-P energy: -19.708
bonds (distance) P-C4' energy: -21.239
flat angles C4'-P-C4' energy: -16.784
flat angles P-C4'-P energy: -8.310
tors. eta vs tors. theta energy: -9.536
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 17
Temperature: 1.150000
Total energy: -233.101637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.101637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.101637 (E_RNA)
where:
Base-Base interactions energy: -151.907
where: short stacking energy: -62.263
Base-Backbone interact. energy: -0.047
local terms energy: -81.147178
where:
bonds (distance) C4'-P energy: -18.162
bonds (distance) P-C4' energy: -17.496
flat angles C4'-P-C4' energy: -18.430
flat angles P-C4'-P energy: -16.067
tors. eta vs tors. theta energy: -10.993
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 17
Temperature: 1.200000
Total energy: -176.308321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.308321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.308321 (E_RNA)
where:
Base-Base interactions energy: -106.724
where: short stacking energy: -67.128
Base-Backbone interact. energy: -0.133
local terms energy: -69.451680
where:
bonds (distance) C4'-P energy: -17.074
bonds (distance) P-C4' energy: -19.738
flat angles C4'-P-C4' energy: -13.402
flat angles P-C4'-P energy: -4.321
tors. eta vs tors. theta energy: -14.916
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 17
Temperature: 1.250000
Total energy: -122.313791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.313791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.313791 (E_RNA)
where:
Base-Base interactions energy: -52.278
where: short stacking energy: -51.396
Base-Backbone interact. energy: 0.246
local terms energy: -70.281572
where:
bonds (distance) C4'-P energy: -9.960
bonds (distance) P-C4' energy: -19.854
flat angles C4'-P-C4' energy: -20.266
flat angles P-C4'-P energy: -12.155
tors. eta vs tors. theta energy: -8.046
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 17
Temperature: 1.300000
Total energy: -160.664967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.664967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.664967 (E_RNA)
where:
Base-Base interactions energy: -98.373
where: short stacking energy: -58.041
Base-Backbone interact. energy: 0.311
local terms energy: -62.603628
where:
bonds (distance) C4'-P energy: -10.600
bonds (distance) P-C4' energy: -15.194
flat angles C4'-P-C4' energy: -15.964
flat angles P-C4'-P energy: -9.979
tors. eta vs tors. theta energy: -10.866
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 17
Temperature: 1.350000
Total energy: -97.799340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.799340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.799340 (E_RNA)
where:
Base-Base interactions energy: -41.216
where: short stacking energy: -39.207
Base-Backbone interact. energy: -1.410
local terms energy: -55.173512
where:
bonds (distance) C4'-P energy: -17.638
bonds (distance) P-C4' energy: -18.030
flat angles C4'-P-C4' energy: -13.053
flat angles P-C4'-P energy: -1.597
tors. eta vs tors. theta energy: -4.855
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 18
Temperature: 0.900000
Total energy: -312.882959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.882959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.882959 (E_RNA)
where:
Base-Base interactions energy: -219.403
where: short stacking energy: -87.818
Base-Backbone interact. energy: -0.315
local terms energy: -93.165030
where:
bonds (distance) C4'-P energy: -22.187
bonds (distance) P-C4' energy: -19.924
flat angles C4'-P-C4' energy: -18.633
flat angles P-C4'-P energy: -12.246
tors. eta vs tors. theta energy: -20.176
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 18
Temperature: 0.950000
Total energy: -291.007768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.007768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.007768 (E_RNA)
where:
Base-Base interactions energy: -190.599
where: short stacking energy: -89.222
Base-Backbone interact. energy: 0.267
local terms energy: -100.675755
where:
bonds (distance) C4'-P energy: -20.787
bonds (distance) P-C4' energy: -21.157
flat angles C4'-P-C4' energy: -15.915
flat angles P-C4'-P energy: -15.602
tors. eta vs tors. theta energy: -27.215
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 18
Temperature: 1.000000
Total energy: -273.266819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.266819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.266819 (E_RNA)
where:
Base-Base interactions energy: -178.782
where: short stacking energy: -93.006
Base-Backbone interact. energy: -1.025
local terms energy: -93.459541
where:
bonds (distance) C4'-P energy: -14.741
bonds (distance) P-C4' energy: -20.140
flat angles C4'-P-C4' energy: -19.860
flat angles P-C4'-P energy: -12.984
tors. eta vs tors. theta energy: -25.735
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 18
Temperature: 1.050000
Total energy: -267.987983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.987983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.987983 (E_RNA)
where:
Base-Base interactions energy: -181.894
where: short stacking energy: -85.960
Base-Backbone interact. energy: -0.489
local terms energy: -85.605139
where:
bonds (distance) C4'-P energy: -16.778
bonds (distance) P-C4' energy: -21.127
flat angles C4'-P-C4' energy: -19.328
flat angles P-C4'-P energy: -12.667
tors. eta vs tors. theta energy: -15.706
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 18
Temperature: 1.100000
Total energy: -206.817998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.817998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.817998 (E_RNA)
where:
Base-Base interactions energy: -130.798
where: short stacking energy: -55.259
Base-Backbone interact. energy: -0.369
local terms energy: -75.650564
where:
bonds (distance) C4'-P energy: -19.592
bonds (distance) P-C4' energy: -15.879
flat angles C4'-P-C4' energy: -16.431
flat angles P-C4'-P energy: -13.103
tors. eta vs tors. theta energy: -10.647
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 18
Temperature: 1.150000
Total energy: -256.977435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.977435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.977435 (E_RNA)
where:
Base-Base interactions energy: -177.539
where: short stacking energy: -77.703
Base-Backbone interact. energy: -0.098
local terms energy: -79.340293
where:
bonds (distance) C4'-P energy: -15.699
bonds (distance) P-C4' energy: -21.716
flat angles C4'-P-C4' energy: -17.811
flat angles P-C4'-P energy: -6.171
tors. eta vs tors. theta energy: -17.943
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 18
Temperature: 1.200000
Total energy: -128.085895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.085895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.085895 (E_RNA)
where:
Base-Base interactions energy: -59.332
where: short stacking energy: -53.067
Base-Backbone interact. energy: -0.307
local terms energy: -68.446750
where:
bonds (distance) C4'-P energy: -13.932
bonds (distance) P-C4' energy: -18.529
flat angles C4'-P-C4' energy: -16.956
flat angles P-C4'-P energy: -13.242
tors. eta vs tors. theta energy: -5.788
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 18
Temperature: 1.250000
Total energy: -180.666578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.666578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.666578 (E_RNA)
where:
Base-Base interactions energy: -114.802
where: short stacking energy: -54.162
Base-Backbone interact. energy: 0.794
local terms energy: -66.658450
where:
bonds (distance) C4'-P energy: -14.785
bonds (distance) P-C4' energy: -19.605
flat angles C4'-P-C4' energy: -15.913
flat angles P-C4'-P energy: -7.957
tors. eta vs tors. theta energy: -8.399
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 18
Temperature: 1.300000
Total energy: -157.196947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.196947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.196947 (E_RNA)
where:
Base-Base interactions energy: -95.917
where: short stacking energy: -56.614
Base-Backbone interact. energy: -0.106
local terms energy: -61.173885
where:
bonds (distance) C4'-P energy: -14.096
bonds (distance) P-C4' energy: -21.049
flat angles C4'-P-C4' energy: -12.160
flat angles P-C4'-P energy: -6.500
tors. eta vs tors. theta energy: -7.368
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 18
Temperature: 1.350000
Total energy: -136.969917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.969917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.969917 (E_RNA)
where:
Base-Base interactions energy: -68.070
where: short stacking energy: -32.837
Base-Backbone interact. energy: -0.252
local terms energy: -68.647171
where:
bonds (distance) C4'-P energy: -17.359
bonds (distance) P-C4' energy: -14.892
flat angles C4'-P-C4' energy: -14.876
flat angles P-C4'-P energy: -13.484
tors. eta vs tors. theta energy: -8.036
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 19
Temperature: 0.900000
Total energy: -314.218023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.218023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.218023 (E_RNA)
where:
Base-Base interactions energy: -225.119
where: short stacking energy: -89.114
Base-Backbone interact. energy: 0.123
local terms energy: -89.222054
where:
bonds (distance) C4'-P energy: -17.970
bonds (distance) P-C4' energy: -18.048
flat angles C4'-P-C4' energy: -20.590
flat angles P-C4'-P energy: -13.283
tors. eta vs tors. theta energy: -19.331
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 19
Temperature: 0.950000
Total energy: -294.448477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.448477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.448477 (E_RNA)
where:
Base-Base interactions energy: -208.129
where: short stacking energy: -88.891
Base-Backbone interact. energy: 0.314
local terms energy: -86.633708
where:
bonds (distance) C4'-P energy: -13.703
bonds (distance) P-C4' energy: -22.342
flat angles C4'-P-C4' energy: -22.312
flat angles P-C4'-P energy: -3.802
tors. eta vs tors. theta energy: -24.475
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 19
Temperature: 1.000000
Total energy: -272.965718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.965718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.965718 (E_RNA)
where:
Base-Base interactions energy: -178.354
where: short stacking energy: -99.892
Base-Backbone interact. energy: -0.084
local terms energy: -94.527712
where:
bonds (distance) C4'-P energy: -17.773
bonds (distance) P-C4' energy: -20.220
flat angles C4'-P-C4' energy: -17.762
flat angles P-C4'-P energy: -13.118
tors. eta vs tors. theta energy: -25.655
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 19
Temperature: 1.050000
Total energy: -289.575065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.575065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.575065 (E_RNA)
where:
Base-Base interactions energy: -196.235
where: short stacking energy: -91.606
Base-Backbone interact. energy: -0.693
local terms energy: -92.646259
where:
bonds (distance) C4'-P energy: -20.904
bonds (distance) P-C4' energy: -17.534
flat angles C4'-P-C4' energy: -20.529
flat angles P-C4'-P energy: -11.014
tors. eta vs tors. theta energy: -22.666
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 19
Temperature: 1.100000
Total energy: -215.856853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.856853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.856853 (E_RNA)
where:
Base-Base interactions energy: -141.386
where: short stacking energy: -71.471
Base-Backbone interact. energy: 2.214
local terms energy: -76.684650
where:
bonds (distance) C4'-P energy: -16.292
bonds (distance) P-C4' energy: -19.924
flat angles C4'-P-C4' energy: -13.575
flat angles P-C4'-P energy: -10.284
tors. eta vs tors. theta energy: -16.610
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 19
Temperature: 1.150000
Total energy: -257.279909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.279909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.279909 (E_RNA)
where:
Base-Base interactions energy: -198.528
where: short stacking energy: -68.198
Base-Backbone interact. energy: -2.111
local terms energy: -56.640627
where:
bonds (distance) C4'-P energy: -13.468
bonds (distance) P-C4' energy: -13.054
flat angles C4'-P-C4' energy: -11.702
flat angles P-C4'-P energy: -8.080
tors. eta vs tors. theta energy: -10.336
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 19
Temperature: 1.200000
Total energy: -136.926819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.926819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.926819 (E_RNA)
where:
Base-Base interactions energy: -59.596
where: short stacking energy: -46.033
Base-Backbone interact. energy: -0.565
local terms energy: -76.765857
where:
bonds (distance) C4'-P energy: -21.145
bonds (distance) P-C4' energy: -17.363
flat angles C4'-P-C4' energy: -17.882
flat angles P-C4'-P energy: -14.399
tors. eta vs tors. theta energy: -5.977
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 19
Temperature: 1.250000
Total energy: -167.699742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.699742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.699742 (E_RNA)
where:
Base-Base interactions energy: -91.452
where: short stacking energy: -53.827
Base-Backbone interact. energy: 1.553
local terms energy: -77.800112
where:
bonds (distance) C4'-P energy: -17.016
bonds (distance) P-C4' energy: -16.372
flat angles C4'-P-C4' energy: -15.602
flat angles P-C4'-P energy: -16.466
tors. eta vs tors. theta energy: -12.344
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 19
Temperature: 1.300000
Total energy: -164.307507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.307507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.307507 (E_RNA)
where:
Base-Base interactions energy: -99.429
where: short stacking energy: -52.201
Base-Backbone interact. energy: -0.372
local terms energy: -64.506285
where:
bonds (distance) C4'-P energy: -15.413
bonds (distance) P-C4' energy: -20.139
flat angles C4'-P-C4' energy: -11.719
flat angles P-C4'-P energy: -11.068
tors. eta vs tors. theta energy: -6.167
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 19
Temperature: 1.350000
Total energy: -158.216329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.216329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.216329 (E_RNA)
where:
Base-Base interactions energy: -94.832
where: short stacking energy: -50.617
Base-Backbone interact. energy: -0.416
local terms energy: -62.968219
where:
bonds (distance) C4'-P energy: -16.043
bonds (distance) P-C4' energy: -9.292
flat angles C4'-P-C4' energy: -17.682
flat angles P-C4'-P energy: -9.269
tors. eta vs tors. theta energy: -10.682
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 20
Temperature: 0.900000
Total energy: -313.416647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.416647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.416647 (E_RNA)
where:
Base-Base interactions energy: -217.298
where: short stacking energy: -80.273
Base-Backbone interact. energy: -0.730
local terms energy: -95.388464
where:
bonds (distance) C4'-P energy: -21.323
bonds (distance) P-C4' energy: -20.725
flat angles C4'-P-C4' energy: -19.207
flat angles P-C4'-P energy: -15.374
tors. eta vs tors. theta energy: -18.759
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 20
Temperature: 0.950000
Total energy: -303.806796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.806796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.806796 (E_RNA)
where:
Base-Base interactions energy: -201.189
where: short stacking energy: -93.845
Base-Backbone interact. energy: -2.821
local terms energy: -99.796619
where:
bonds (distance) C4'-P energy: -22.322
bonds (distance) P-C4' energy: -23.541
flat angles C4'-P-C4' energy: -18.897
flat angles P-C4'-P energy: -12.557
tors. eta vs tors. theta energy: -22.480
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 20
Temperature: 1.000000
Total energy: -281.209902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.209902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.209902 (E_RNA)
where:
Base-Base interactions energy: -181.139
where: short stacking energy: -105.595
Base-Backbone interact. energy: -0.024
local terms energy: -100.047024
where:
bonds (distance) C4'-P energy: -18.345
bonds (distance) P-C4' energy: -14.679
flat angles C4'-P-C4' energy: -21.538
flat angles P-C4'-P energy: -16.421
tors. eta vs tors. theta energy: -29.063
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 20
Temperature: 1.050000
Total energy: -262.792952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.792952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.792952 (E_RNA)
where:
Base-Base interactions energy: -172.229
where: short stacking energy: -76.045
Base-Backbone interact. energy: -0.490
local terms energy: -90.073404
where:
bonds (distance) C4'-P energy: -16.080
bonds (distance) P-C4' energy: -23.363
flat angles C4'-P-C4' energy: -17.819
flat angles P-C4'-P energy: -13.623
tors. eta vs tors. theta energy: -19.188
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 20
Temperature: 1.100000
Total energy: -248.026797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.026797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.026797 (E_RNA)
where:
Base-Base interactions energy: -171.110
where: short stacking energy: -65.456
Base-Backbone interact. energy: -0.803
local terms energy: -76.113813
where:
bonds (distance) C4'-P energy: -15.915
bonds (distance) P-C4' energy: -21.620
flat angles C4'-P-C4' energy: -20.696
flat angles P-C4'-P energy: -5.371
tors. eta vs tors. theta energy: -12.512
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 20
Temperature: 1.150000
Total energy: -210.549246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.549246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.549246 (E_RNA)
where:
Base-Base interactions energy: -135.526
where: short stacking energy: -62.702
Base-Backbone interact. energy: 0.664
local terms energy: -75.688024
where:
bonds (distance) C4'-P energy: -16.002
bonds (distance) P-C4' energy: -21.451
flat angles C4'-P-C4' energy: -20.562
flat angles P-C4'-P energy: -9.708
tors. eta vs tors. theta energy: -7.965
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 20
Temperature: 1.200000
Total energy: -165.555110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.555110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.555110 (E_RNA)
where:
Base-Base interactions energy: -104.545
where: short stacking energy: -67.169
Base-Backbone interact. energy: -0.158
local terms energy: -60.852456
where:
bonds (distance) C4'-P energy: -14.863
bonds (distance) P-C4' energy: -13.574
flat angles C4'-P-C4' energy: -17.142
flat angles P-C4'-P energy: -4.344
tors. eta vs tors. theta energy: -10.929
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 20
Temperature: 1.250000
Total energy: -125.065644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.065644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.065644 (E_RNA)
where:
Base-Base interactions energy: -56.021
where: short stacking energy: -36.912
Base-Backbone interact. energy: 0.104
local terms energy: -69.148892
where:
bonds (distance) C4'-P energy: -18.656
bonds (distance) P-C4' energy: -22.345
flat angles C4'-P-C4' energy: -15.323
flat angles P-C4'-P energy: -11.271
tors. eta vs tors. theta energy: -1.554
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 20
Temperature: 1.300000
Total energy: -158.007000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.007000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.007000 (E_RNA)
where:
Base-Base interactions energy: -95.933
where: short stacking energy: -49.721
Base-Backbone interact. energy: 1.456
local terms energy: -63.530298
where:
bonds (distance) C4'-P energy: -13.291
bonds (distance) P-C4' energy: -22.387
flat angles C4'-P-C4' energy: -18.169
flat angles P-C4'-P energy: -5.131
tors. eta vs tors. theta energy: -4.552
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 20
Temperature: 1.350000
Total energy: -149.317558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.317558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.317558 (E_RNA)
where:
Base-Base interactions energy: -82.313
where: short stacking energy: -37.935
Base-Backbone interact. energy: -0.223
local terms energy: -66.781777
where:
bonds (distance) C4'-P energy: -16.086
bonds (distance) P-C4' energy: -20.171
flat angles C4'-P-C4' energy: -19.756
flat angles P-C4'-P energy: -7.656
tors. eta vs tors. theta energy: -3.113
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 21
Temperature: 0.900000
Total energy: -309.368955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.368955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.368955 (E_RNA)
where:
Base-Base interactions energy: -228.189
where: short stacking energy: -89.974
Base-Backbone interact. energy: -1.320
local terms energy: -79.860163
where:
bonds (distance) C4'-P energy: -17.695
bonds (distance) P-C4' energy: -11.905
flat angles C4'-P-C4' energy: -17.115
flat angles P-C4'-P energy: -14.907
tors. eta vs tors. theta energy: -18.239
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 21
Temperature: 0.950000
Total energy: -299.902301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.902301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.902301 (E_RNA)
where:
Base-Base interactions energy: -202.947
where: short stacking energy: -93.560
Base-Backbone interact. energy: -1.124
local terms energy: -95.831377
where:
bonds (distance) C4'-P energy: -15.303
bonds (distance) P-C4' energy: -18.552
flat angles C4'-P-C4' energy: -22.466
flat angles P-C4'-P energy: -12.792
tors. eta vs tors. theta energy: -26.718
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 21
Temperature: 1.000000
Total energy: -267.446093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.446093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.446093 (E_RNA)
where:
Base-Base interactions energy: -167.550
where: short stacking energy: -91.471
Base-Backbone interact. energy: -0.043
local terms energy: -99.852775
where:
bonds (distance) C4'-P energy: -19.781
bonds (distance) P-C4' energy: -18.837
flat angles C4'-P-C4' energy: -19.143
flat angles P-C4'-P energy: -16.248
tors. eta vs tors. theta energy: -25.843
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 21
Temperature: 1.050000
Total energy: -275.041605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.041605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.041605 (E_RNA)
where:
Base-Base interactions energy: -193.983
where: short stacking energy: -75.730
Base-Backbone interact. energy: -0.140
local terms energy: -80.918749
where:
bonds (distance) C4'-P energy: -17.755
bonds (distance) P-C4' energy: -19.686
flat angles C4'-P-C4' energy: -19.749
flat angles P-C4'-P energy: -9.775
tors. eta vs tors. theta energy: -13.955
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 21
Temperature: 1.100000
Total energy: -259.304132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.304132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.304132 (E_RNA)
where:
Base-Base interactions energy: -172.776
where: short stacking energy: -75.019
Base-Backbone interact. energy: -0.953
local terms energy: -85.575746
where:
bonds (distance) C4'-P energy: -18.109
bonds (distance) P-C4' energy: -15.600
flat angles C4'-P-C4' energy: -20.637
flat angles P-C4'-P energy: -10.910
tors. eta vs tors. theta energy: -20.320
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 21
Temperature: 1.150000
Total energy: -196.767409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.767409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.767409 (E_RNA)
where:
Base-Base interactions energy: -118.767
where: short stacking energy: -62.751
Base-Backbone interact. energy: -0.352
local terms energy: -77.648921
where:
bonds (distance) C4'-P energy: -17.451
bonds (distance) P-C4' energy: -17.255
flat angles C4'-P-C4' energy: -16.300
flat angles P-C4'-P energy: -11.204
tors. eta vs tors. theta energy: -15.439
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 21
Temperature: 1.200000
Total energy: -181.901201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.901201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.901201 (E_RNA)
where:
Base-Base interactions energy: -112.577
where: short stacking energy: -55.962
Base-Backbone interact. energy: -0.362
local terms energy: -68.962703
where:
bonds (distance) C4'-P energy: -16.752
bonds (distance) P-C4' energy: -14.977
flat angles C4'-P-C4' energy: -14.130
flat angles P-C4'-P energy: -7.579
tors. eta vs tors. theta energy: -15.525
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 21
Temperature: 1.250000
Total energy: -160.255622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.255622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.255622 (E_RNA)
where:
Base-Base interactions energy: -97.714
where: short stacking energy: -54.632
Base-Backbone interact. energy: -0.182
local terms energy: -62.360039
where:
bonds (distance) C4'-P energy: -17.911
bonds (distance) P-C4' energy: -14.048
flat angles C4'-P-C4' energy: -15.279
flat angles P-C4'-P energy: -10.667
tors. eta vs tors. theta energy: -4.455
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 21
Temperature: 1.300000
Total energy: -127.279145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.279145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.279145 (E_RNA)
where:
Base-Base interactions energy: -62.845
where: short stacking energy: -53.845
Base-Backbone interact. energy: -0.550
local terms energy: -63.884111
where:
bonds (distance) C4'-P energy: -19.251
bonds (distance) P-C4' energy: -13.976
flat angles C4'-P-C4' energy: -11.855
flat angles P-C4'-P energy: -10.554
tors. eta vs tors. theta energy: -8.247
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 21
Temperature: 1.350000
Total energy: -154.833825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.833825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.833825 (E_RNA)
where:
Base-Base interactions energy: -89.351
where: short stacking energy: -43.571
Base-Backbone interact. energy: -0.213
local terms energy: -65.268964
where:
bonds (distance) C4'-P energy: -16.191
bonds (distance) P-C4' energy: -18.542
flat angles C4'-P-C4' energy: -14.724
flat angles P-C4'-P energy: -10.141
tors. eta vs tors. theta energy: -5.670
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 22
Temperature: 0.900000
Total energy: -302.891728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.891728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.891728 (E_RNA)
where:
Base-Base interactions energy: -206.815
where: short stacking energy: -98.921
Base-Backbone interact. energy: -0.062
local terms energy: -96.014902
where:
bonds (distance) C4'-P energy: -19.211
bonds (distance) P-C4' energy: -18.219
flat angles C4'-P-C4' energy: -20.878
flat angles P-C4'-P energy: -9.766
tors. eta vs tors. theta energy: -27.940
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 22
Temperature: 0.950000
Total energy: -295.002189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.002189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.002189 (E_RNA)
where:
Base-Base interactions energy: -213.417
where: short stacking energy: -84.350
Base-Backbone interact. energy: -1.019
local terms energy: -80.565524
where:
bonds (distance) C4'-P energy: -21.752
bonds (distance) P-C4' energy: -17.590
flat angles C4'-P-C4' energy: -18.380
flat angles P-C4'-P energy: -8.673
tors. eta vs tors. theta energy: -14.170
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 22
Temperature: 1.000000
Total energy: -280.839234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.839234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.839234 (E_RNA)
where:
Base-Base interactions energy: -201.537
where: short stacking energy: -84.397
Base-Backbone interact. energy: 0.413
local terms energy: -79.715445
where:
bonds (distance) C4'-P energy: -20.210
bonds (distance) P-C4' energy: -21.637
flat angles C4'-P-C4' energy: -12.488
flat angles P-C4'-P energy: -5.489
tors. eta vs tors. theta energy: -19.892
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 22
Temperature: 1.050000
Total energy: -258.276145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.276145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.276145 (E_RNA)
where:
Base-Base interactions energy: -162.701
where: short stacking energy: -88.216
Base-Backbone interact. energy: 0.228
local terms energy: -95.803058
where:
bonds (distance) C4'-P energy: -16.295
bonds (distance) P-C4' energy: -20.949
flat angles C4'-P-C4' energy: -19.063
flat angles P-C4'-P energy: -13.148
tors. eta vs tors. theta energy: -26.347
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 22
Temperature: 1.100000
Total energy: -266.349485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.349485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.349485 (E_RNA)
where:
Base-Base interactions energy: -184.542
where: short stacking energy: -78.237
Base-Backbone interact. energy: -0.166
local terms energy: -81.642084
where:
bonds (distance) C4'-P energy: -17.395
bonds (distance) P-C4' energy: -12.296
flat angles C4'-P-C4' energy: -18.897
flat angles P-C4'-P energy: -14.820
tors. eta vs tors. theta energy: -18.235
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 22
Temperature: 1.150000
Total energy: -187.438245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.438245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.438245 (E_RNA)
where:
Base-Base interactions energy: -102.800
where: short stacking energy: -60.664
Base-Backbone interact. energy: -2.161
local terms energy: -82.476966
where:
bonds (distance) C4'-P energy: -11.109
bonds (distance) P-C4' energy: -21.998
flat angles C4'-P-C4' energy: -21.504
flat angles P-C4'-P energy: -13.200
tors. eta vs tors. theta energy: -14.666
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 22
Temperature: 1.200000
Total energy: -186.678297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.678297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.678297 (E_RNA)
where:
Base-Base interactions energy: -112.045
where: short stacking energy: -57.271
Base-Backbone interact. energy: -0.737
local terms energy: -73.896086
where:
bonds (distance) C4'-P energy: -13.996
bonds (distance) P-C4' energy: -18.906
flat angles C4'-P-C4' energy: -16.679
flat angles P-C4'-P energy: -9.850
tors. eta vs tors. theta energy: -14.465
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 22
Temperature: 1.250000
Total energy: -174.901827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.901827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.901827 (E_RNA)
where:
Base-Base interactions energy: -99.643
where: short stacking energy: -59.137
Base-Backbone interact. energy: -1.208
local terms energy: -74.051122
where:
bonds (distance) C4'-P energy: -18.938
bonds (distance) P-C4' energy: -19.171
flat angles C4'-P-C4' energy: -13.935
flat angles P-C4'-P energy: -9.089
tors. eta vs tors. theta energy: -12.917
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 22
Temperature: 1.300000
Total energy: -160.101417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.101417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.101417 (E_RNA)
where:
Base-Base interactions energy: -101.254
where: short stacking energy: -62.091
Base-Backbone interact. energy: -0.275
local terms energy: -58.573143
where:
bonds (distance) C4'-P energy: -11.542
bonds (distance) P-C4' energy: -15.519
flat angles C4'-P-C4' energy: -12.048
flat angles P-C4'-P energy: -4.617
tors. eta vs tors. theta energy: -14.847
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 22
Temperature: 1.350000
Total energy: -97.221706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.221706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.221706 (E_RNA)
where:
Base-Base interactions energy: -34.921
where: short stacking energy: -31.678
Base-Backbone interact. energy: -0.042
local terms energy: -62.258206
where:
bonds (distance) C4'-P energy: -17.528
bonds (distance) P-C4' energy: -15.086
flat angles C4'-P-C4' energy: -14.189
flat angles P-C4'-P energy: -8.775
tors. eta vs tors. theta energy: -6.680
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 23
Temperature: 0.900000
Total energy: -314.621750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.621750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.621750 (E_RNA)
where:
Base-Base interactions energy: -213.050
where: short stacking energy: -93.778
Base-Backbone interact. energy: -1.727
local terms energy: -99.845075
where:
bonds (distance) C4'-P energy: -18.905
bonds (distance) P-C4' energy: -20.806
flat angles C4'-P-C4' energy: -16.655
flat angles P-C4'-P energy: -13.046
tors. eta vs tors. theta energy: -30.434
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 23
Temperature: 0.950000
Total energy: -278.913299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.913299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.913299 (E_RNA)
where:
Base-Base interactions energy: -209.739
where: short stacking energy: -91.387
Base-Backbone interact. energy: -0.293
local terms energy: -68.880777
where:
bonds (distance) C4'-P energy: -11.854
bonds (distance) P-C4' energy: -18.673
flat angles C4'-P-C4' energy: -13.961
flat angles P-C4'-P energy: -8.341
tors. eta vs tors. theta energy: -16.051
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 23
Temperature: 1.000000
Total energy: -293.611964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.611964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.611964 (E_RNA)
where:
Base-Base interactions energy: -210.802
where: short stacking energy: -80.543
Base-Backbone interact. energy: -0.219
local terms energy: -82.591523
where:
bonds (distance) C4'-P energy: -15.518
bonds (distance) P-C4' energy: -16.104
flat angles C4'-P-C4' energy: -21.341
flat angles P-C4'-P energy: -15.230
tors. eta vs tors. theta energy: -14.398
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 23
Temperature: 1.050000
Total energy: -280.779881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.779881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.779881 (E_RNA)
where:
Base-Base interactions energy: -189.195
where: short stacking energy: -88.762
Base-Backbone interact. energy: -0.371
local terms energy: -91.214532
where:
bonds (distance) C4'-P energy: -20.266
bonds (distance) P-C4' energy: -12.269
flat angles C4'-P-C4' energy: -21.196
flat angles P-C4'-P energy: -12.397
tors. eta vs tors. theta energy: -25.086
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 23
Temperature: 1.100000
Total energy: -248.180720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.180720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.180720 (E_RNA)
where:
Base-Base interactions energy: -159.039
where: short stacking energy: -85.458
Base-Backbone interact. energy: -0.109
local terms energy: -89.033172
where:
bonds (distance) C4'-P energy: -19.938
bonds (distance) P-C4' energy: -12.436
flat angles C4'-P-C4' energy: -22.196
flat angles P-C4'-P energy: -14.039
tors. eta vs tors. theta energy: -20.425
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 23
Temperature: 1.150000
Total energy: -191.785749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.785749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.785749 (E_RNA)
where:
Base-Base interactions energy: -114.889
where: short stacking energy: -63.224
Base-Backbone interact. energy: -0.126
local terms energy: -76.770641
where:
bonds (distance) C4'-P energy: -16.232
bonds (distance) P-C4' energy: -17.068
flat angles C4'-P-C4' energy: -18.315
flat angles P-C4'-P energy: -9.469
tors. eta vs tors. theta energy: -15.686
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 23
Temperature: 1.200000
Total energy: -202.585420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.585420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.585420 (E_RNA)
where:
Base-Base interactions energy: -129.168
where: short stacking energy: -65.673
Base-Backbone interact. energy: 0.927
local terms energy: -74.345150
where:
bonds (distance) C4'-P energy: -18.167
bonds (distance) P-C4' energy: -15.517
flat angles C4'-P-C4' energy: -23.498
flat angles P-C4'-P energy: -9.463
tors. eta vs tors. theta energy: -7.701
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 23
Temperature: 1.250000
Total energy: -175.745244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.745244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.745244 (E_RNA)
where:
Base-Base interactions energy: -107.371
where: short stacking energy: -66.478
Base-Backbone interact. energy: -0.363
local terms energy: -68.011141
where:
bonds (distance) C4'-P energy: -9.649
bonds (distance) P-C4' energy: -17.376
flat angles C4'-P-C4' energy: -16.540
flat angles P-C4'-P energy: -9.261
tors. eta vs tors. theta energy: -15.185
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 23
Temperature: 1.300000
Total energy: -201.344847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.344847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.344847 (E_RNA)
where:
Base-Base interactions energy: -134.505
where: short stacking energy: -55.045
Base-Backbone interact. energy: -0.101
local terms energy: -66.738481
where:
bonds (distance) C4'-P energy: -18.071
bonds (distance) P-C4' energy: -16.149
flat angles C4'-P-C4' energy: -15.520
flat angles P-C4'-P energy: -12.148
tors. eta vs tors. theta energy: -4.852
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 23
Temperature: 1.350000
Total energy: -148.566646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.566646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.566646 (E_RNA)
where:
Base-Base interactions energy: -85.849
where: short stacking energy: -45.981
Base-Backbone interact. energy: -0.138
local terms energy: -62.579314
where:
bonds (distance) C4'-P energy: -6.320
bonds (distance) P-C4' energy: -18.734
flat angles C4'-P-C4' energy: -17.956
flat angles P-C4'-P energy: -11.350
tors. eta vs tors. theta energy: -8.218
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 24
Temperature: 0.900000
Total energy: -307.552918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.552918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.552918 (E_RNA)
where:
Base-Base interactions energy: -216.296
where: short stacking energy: -96.169
Base-Backbone interact. energy: 0.065
local terms energy: -91.322195
where:
bonds (distance) C4'-P energy: -17.957
bonds (distance) P-C4' energy: -15.377
flat angles C4'-P-C4' energy: -19.158
flat angles P-C4'-P energy: -13.072
tors. eta vs tors. theta energy: -25.758
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 24
Temperature: 0.950000
Total energy: -283.014464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.014464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.014464 (E_RNA)
where:
Base-Base interactions energy: -203.500
where: short stacking energy: -83.342
Base-Backbone interact. energy: 0.156
local terms energy: -79.671037
where:
bonds (distance) C4'-P energy: -16.594
bonds (distance) P-C4' energy: -16.694
flat angles C4'-P-C4' energy: -17.170
flat angles P-C4'-P energy: -11.536
tors. eta vs tors. theta energy: -17.677
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 24
Temperature: 1.000000
Total energy: -292.122605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.122605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.122605 (E_RNA)
where:
Base-Base interactions energy: -195.262
where: short stacking energy: -84.060
Base-Backbone interact. energy: -0.082
local terms energy: -96.778435
where:
bonds (distance) C4'-P energy: -19.808
bonds (distance) P-C4' energy: -18.133
flat angles C4'-P-C4' energy: -19.811
flat angles P-C4'-P energy: -15.458
tors. eta vs tors. theta energy: -23.568
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 24
Temperature: 1.050000
Total energy: -302.131084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.131084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.131084 (E_RNA)
where:
Base-Base interactions energy: -209.404
where: short stacking energy: -89.377
Base-Backbone interact. energy: 0.218
local terms energy: -92.945231
where:
bonds (distance) C4'-P energy: -22.452
bonds (distance) P-C4' energy: -18.875
flat angles C4'-P-C4' energy: -17.843
flat angles P-C4'-P energy: -11.420
tors. eta vs tors. theta energy: -22.355
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 24
Temperature: 1.100000
Total energy: -201.774957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.774957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.774957 (E_RNA)
where:
Base-Base interactions energy: -129.477
where: short stacking energy: -59.196
Base-Backbone interact. energy: -0.133
local terms energy: -72.164581
where:
bonds (distance) C4'-P energy: -17.829
bonds (distance) P-C4' energy: -10.053
flat angles C4'-P-C4' energy: -17.482
flat angles P-C4'-P energy: -15.683
tors. eta vs tors. theta energy: -11.117
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 24
Temperature: 1.150000
Total energy: -249.891879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.891879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.891879 (E_RNA)
where:
Base-Base interactions energy: -149.624
where: short stacking energy: -75.662
Base-Backbone interact. energy: -0.080
local terms energy: -100.188045
where:
bonds (distance) C4'-P energy: -20.677
bonds (distance) P-C4' energy: -19.041
flat angles C4'-P-C4' energy: -22.902
flat angles P-C4'-P energy: -15.329
tors. eta vs tors. theta energy: -22.239
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 24
Temperature: 1.200000
Total energy: -185.329033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.329033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.329033 (E_RNA)
where:
Base-Base interactions energy: -96.103
where: short stacking energy: -64.581
Base-Backbone interact. energy: -0.362
local terms energy: -88.864037
where:
bonds (distance) C4'-P energy: -17.613
bonds (distance) P-C4' energy: -19.111
flat angles C4'-P-C4' energy: -22.489
flat angles P-C4'-P energy: -14.336
tors. eta vs tors. theta energy: -15.315
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 24
Temperature: 1.250000
Total energy: -243.342988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.342988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.342988 (E_RNA)
where:
Base-Base interactions energy: -162.323
where: short stacking energy: -76.317
Base-Backbone interact. energy: -0.814
local terms energy: -80.206229
where:
bonds (distance) C4'-P energy: -17.174
bonds (distance) P-C4' energy: -20.449
flat angles C4'-P-C4' energy: -13.613
flat angles P-C4'-P energy: -10.959
tors. eta vs tors. theta energy: -18.011
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 24
Temperature: 1.300000
Total energy: -164.871596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.871596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.871596 (E_RNA)
where:
Base-Base interactions energy: -96.330
where: short stacking energy: -50.745
Base-Backbone interact. energy: -0.283
local terms energy: -68.258238
where:
bonds (distance) C4'-P energy: -11.144
bonds (distance) P-C4' energy: -19.281
flat angles C4'-P-C4' energy: -18.939
flat angles P-C4'-P energy: -10.444
tors. eta vs tors. theta energy: -8.450
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 24
Temperature: 1.350000
Total energy: -146.429763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.429763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.429763 (E_RNA)
where:
Base-Base interactions energy: -90.394
where: short stacking energy: -43.564
Base-Backbone interact. energy: -0.023
local terms energy: -56.013067
where:
bonds (distance) C4'-P energy: -18.139
bonds (distance) P-C4' energy: -16.753
flat angles C4'-P-C4' energy: -2.763
flat angles P-C4'-P energy: -8.842
tors. eta vs tors. theta energy: -9.515
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 25
Temperature: 0.900000
Total energy: -300.859627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.859627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.859627 (E_RNA)
where:
Base-Base interactions energy: -199.956
where: short stacking energy: -85.469
Base-Backbone interact. energy: -2.219
local terms energy: -98.684849
where:
bonds (distance) C4'-P energy: -22.308
bonds (distance) P-C4' energy: -21.968
flat angles C4'-P-C4' energy: -20.900
flat angles P-C4'-P energy: -13.755
tors. eta vs tors. theta energy: -19.754
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 25
Temperature: 0.950000
Total energy: -293.705511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.705511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.705511 (E_RNA)
where:
Base-Base interactions energy: -210.414
where: short stacking energy: -85.509
Base-Backbone interact. energy: -0.932
local terms energy: -82.359458
where:
bonds (distance) C4'-P energy: -18.573
bonds (distance) P-C4' energy: -15.776
flat angles C4'-P-C4' energy: -17.046
flat angles P-C4'-P energy: -13.980
tors. eta vs tors. theta energy: -16.984
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 25
Temperature: 1.000000
Total energy: -285.536239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.536239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.536239 (E_RNA)
where:
Base-Base interactions energy: -186.448
where: short stacking energy: -92.967
Base-Backbone interact. energy: -0.613
local terms energy: -98.475362
where:
bonds (distance) C4'-P energy: -19.447
bonds (distance) P-C4' energy: -19.738
flat angles C4'-P-C4' energy: -15.801
flat angles P-C4'-P energy: -17.467
tors. eta vs tors. theta energy: -26.023
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 25
Temperature: 1.050000
Total energy: -289.751503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.751503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.751503 (E_RNA)
where:
Base-Base interactions energy: -205.366
where: short stacking energy: -77.181
Base-Backbone interact. energy: 0.502
local terms energy: -84.887471
where:
bonds (distance) C4'-P energy: -18.796
bonds (distance) P-C4' energy: -20.915
flat angles C4'-P-C4' energy: -19.455
flat angles P-C4'-P energy: -12.491
tors. eta vs tors. theta energy: -13.230
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 25
Temperature: 1.100000
Total energy: -213.617321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.617321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.617321 (E_RNA)
where:
Base-Base interactions energy: -133.526
where: short stacking energy: -68.071
Base-Backbone interact. energy: -0.244
local terms energy: -79.847789
where:
bonds (distance) C4'-P energy: -12.028
bonds (distance) P-C4' energy: -13.786
flat angles C4'-P-C4' energy: -20.163
flat angles P-C4'-P energy: -15.531
tors. eta vs tors. theta energy: -18.340
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 25
Temperature: 1.150000
Total energy: -184.880405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.880405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.880405 (E_RNA)
where:
Base-Base interactions energy: -105.136
where: short stacking energy: -53.158
Base-Backbone interact. energy: 1.045
local terms energy: -80.788710
where:
bonds (distance) C4'-P energy: -20.046
bonds (distance) P-C4' energy: -18.268
flat angles C4'-P-C4' energy: -18.078
flat angles P-C4'-P energy: -10.733
tors. eta vs tors. theta energy: -13.664
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 25
Temperature: 1.200000
Total energy: -189.705847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.705847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.705847 (E_RNA)
where:
Base-Base interactions energy: -112.405
where: short stacking energy: -58.577
Base-Backbone interact. energy: 0.825
local terms energy: -78.125983
where:
bonds (distance) C4'-P energy: -17.767
bonds (distance) P-C4' energy: -16.977
flat angles C4'-P-C4' energy: -21.072
flat angles P-C4'-P energy: -12.938
tors. eta vs tors. theta energy: -9.371
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 25
Temperature: 1.250000
Total energy: -250.961474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.961474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.961474 (E_RNA)
where:
Base-Base interactions energy: -171.970
where: short stacking energy: -61.392
Base-Backbone interact. energy: -0.758
local terms energy: -78.233758
where:
bonds (distance) C4'-P energy: -18.714
bonds (distance) P-C4' energy: -21.097
flat angles C4'-P-C4' energy: -15.779
flat angles P-C4'-P energy: -9.565
tors. eta vs tors. theta energy: -13.079
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 25
Temperature: 1.300000
Total energy: -103.691623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.691623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.691623 (E_RNA)
where:
Base-Base interactions energy: -43.334
where: short stacking energy: -31.429
Base-Backbone interact. energy: -0.249
local terms energy: -60.108181
where:
bonds (distance) C4'-P energy: -16.326
bonds (distance) P-C4' energy: -21.826
flat angles C4'-P-C4' energy: -14.447
flat angles P-C4'-P energy: -7.019
tors. eta vs tors. theta energy: -0.490
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 25
Temperature: 1.350000
Total energy: -103.882602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.882602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.882602 (E_RNA)
where:
Base-Base interactions energy: -40.138
where: short stacking energy: -38.596
Base-Backbone interact. energy: -0.700
local terms energy: -63.043667
where:
bonds (distance) C4'-P energy: -18.999
bonds (distance) P-C4' energy: -16.477
flat angles C4'-P-C4' energy: -13.456
flat angles P-C4'-P energy: -11.158
tors. eta vs tors. theta energy: -2.953
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 26
Temperature: 0.900000
Total energy: -302.147661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.147661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.147661 (E_RNA)
where:
Base-Base interactions energy: -207.081
where: short stacking energy: -83.391
Base-Backbone interact. energy: -0.262
local terms energy: -94.804883
where:
bonds (distance) C4'-P energy: -21.844
bonds (distance) P-C4' energy: -22.240
flat angles C4'-P-C4' energy: -18.690
flat angles P-C4'-P energy: -12.563
tors. eta vs tors. theta energy: -19.467
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 26
Temperature: 0.950000
Total energy: -306.416898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.416898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.416898 (E_RNA)
where:
Base-Base interactions energy: -209.604
where: short stacking energy: -106.356
Base-Backbone interact. energy: -0.097
local terms energy: -96.715584
where:
bonds (distance) C4'-P energy: -21.362
bonds (distance) P-C4' energy: -16.309
flat angles C4'-P-C4' energy: -20.770
flat angles P-C4'-P energy: -11.644
tors. eta vs tors. theta energy: -26.630
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 26
Temperature: 1.000000
Total energy: -298.267396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.267396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.267396 (E_RNA)
where:
Base-Base interactions energy: -223.759
where: short stacking energy: -88.363
Base-Backbone interact. energy: -1.133
local terms energy: -73.376116
where:
bonds (distance) C4'-P energy: -15.899
bonds (distance) P-C4' energy: -8.374
flat angles C4'-P-C4' energy: -16.423
flat angles P-C4'-P energy: -13.986
tors. eta vs tors. theta energy: -18.693
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 26
Temperature: 1.050000
Total energy: -285.736940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.736940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.736940 (E_RNA)
where:
Base-Base interactions energy: -189.714
where: short stacking energy: -83.341
Base-Backbone interact. energy: -0.104
local terms energy: -95.918996
where:
bonds (distance) C4'-P energy: -19.632
bonds (distance) P-C4' energy: -18.088
flat angles C4'-P-C4' energy: -21.865
flat angles P-C4'-P energy: -11.685
tors. eta vs tors. theta energy: -24.650
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 26
Temperature: 1.100000
Total energy: -254.421341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.421341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.421341 (E_RNA)
where:
Base-Base interactions energy: -161.331
where: short stacking energy: -77.137
Base-Backbone interact. energy: -0.726
local terms energy: -92.364535
where:
bonds (distance) C4'-P energy: -17.500
bonds (distance) P-C4' energy: -18.585
flat angles C4'-P-C4' energy: -23.642
flat angles P-C4'-P energy: -11.493
tors. eta vs tors. theta energy: -21.144
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 26
Temperature: 1.150000
Total energy: -178.691097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.691097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.691097 (E_RNA)
where:
Base-Base interactions energy: -110.982
where: short stacking energy: -51.218
Base-Backbone interact. energy: 0.065
local terms energy: -67.773487
where:
bonds (distance) C4'-P energy: -16.381
bonds (distance) P-C4' energy: -16.777
flat angles C4'-P-C4' energy: -11.975
flat angles P-C4'-P energy: -17.310
tors. eta vs tors. theta energy: -5.330
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 26
Temperature: 1.200000
Total energy: -244.725619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.725619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.725619 (E_RNA)
where:
Base-Base interactions energy: -167.541
where: short stacking energy: -71.660
Base-Backbone interact. energy: -0.051
local terms energy: -77.133581
where:
bonds (distance) C4'-P energy: -18.002
bonds (distance) P-C4' energy: -18.259
flat angles C4'-P-C4' energy: -15.238
flat angles P-C4'-P energy: -10.844
tors. eta vs tors. theta energy: -14.791
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 26
Temperature: 1.250000
Total energy: -178.666690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.666690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.666690 (E_RNA)
where:
Base-Base interactions energy: -101.347
where: short stacking energy: -54.094
Base-Backbone interact. energy: -0.226
local terms energy: -77.094155
where:
bonds (distance) C4'-P energy: -15.703
bonds (distance) P-C4' energy: -20.044
flat angles C4'-P-C4' energy: -15.975
flat angles P-C4'-P energy: -13.443
tors. eta vs tors. theta energy: -11.928
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 26
Temperature: 1.300000
Total energy: -114.189544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.189544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.189544 (E_RNA)
where:
Base-Base interactions energy: -45.394
where: short stacking energy: -45.298
Base-Backbone interact. energy: -0.035
local terms energy: -68.760034
where:
bonds (distance) C4'-P energy: -18.994
bonds (distance) P-C4' energy: -17.228
flat angles C4'-P-C4' energy: -13.619
flat angles P-C4'-P energy: -8.435
tors. eta vs tors. theta energy: -10.484
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 26
Temperature: 1.350000
Total energy: -89.657499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.657499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.657499 (E_RNA)
where:
Base-Base interactions energy: -43.721
where: short stacking energy: -19.570
Base-Backbone interact. energy: -0.492
local terms energy: -45.444242
where:
bonds (distance) C4'-P energy: -18.826
bonds (distance) P-C4' energy: -8.540
flat angles C4'-P-C4' energy: -9.714
flat angles P-C4'-P energy: -10.436
tors. eta vs tors. theta energy: 2.072
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 27
Temperature: 0.900000
Total energy: -285.528414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.528414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.528414 (E_RNA)
where:
Base-Base interactions energy: -194.966
where: short stacking energy: -82.800
Base-Backbone interact. energy: -0.122
local terms energy: -90.440105
where:
bonds (distance) C4'-P energy: -19.934
bonds (distance) P-C4' energy: -20.820
flat angles C4'-P-C4' energy: -21.681
flat angles P-C4'-P energy: -14.132
tors. eta vs tors. theta energy: -13.873
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 27
Temperature: 0.950000
Total energy: -308.655099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.655099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.655099 (E_RNA)
where:
Base-Base interactions energy: -202.031
where: short stacking energy: -93.133
Base-Backbone interact. energy: -0.674
local terms energy: -105.949718
where:
bonds (distance) C4'-P energy: -19.504
bonds (distance) P-C4' energy: -20.918
flat angles C4'-P-C4' energy: -19.651
flat angles P-C4'-P energy: -17.343
tors. eta vs tors. theta energy: -28.533
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 27
Temperature: 1.000000
Total energy: -300.485145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.485145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.485145 (E_RNA)
where:
Base-Base interactions energy: -212.016
where: short stacking energy: -80.331
Base-Backbone interact. energy: -0.602
local terms energy: -87.866629
where:
bonds (distance) C4'-P energy: -17.277
bonds (distance) P-C4' energy: -21.144
flat angles C4'-P-C4' energy: -17.037
flat angles P-C4'-P energy: -15.190
tors. eta vs tors. theta energy: -17.218
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 27
Temperature: 1.050000
Total energy: -285.851991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.851991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.851991 (E_RNA)
where:
Base-Base interactions energy: -190.288
where: short stacking energy: -86.274
Base-Backbone interact. energy: -0.952
local terms energy: -94.612517
where:
bonds (distance) C4'-P energy: -18.717
bonds (distance) P-C4' energy: -17.707
flat angles C4'-P-C4' energy: -22.773
flat angles P-C4'-P energy: -12.155
tors. eta vs tors. theta energy: -23.262
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 27
Temperature: 1.100000
Total energy: -244.514459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.514459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.514459 (E_RNA)
where:
Base-Base interactions energy: -160.206
where: short stacking energy: -82.751
Base-Backbone interact. energy: -0.523
local terms energy: -83.784714
where:
bonds (distance) C4'-P energy: -16.725
bonds (distance) P-C4' energy: -19.838
flat angles C4'-P-C4' energy: -15.597
flat angles P-C4'-P energy: -13.411
tors. eta vs tors. theta energy: -18.214
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 27
Temperature: 1.150000
Total energy: -261.597007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.597007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.597007 (E_RNA)
where:
Base-Base interactions energy: -179.339
where: short stacking energy: -82.921
Base-Backbone interact. energy: 0.331
local terms energy: -82.589142
where:
bonds (distance) C4'-P energy: -16.947
bonds (distance) P-C4' energy: -19.883
flat angles C4'-P-C4' energy: -19.081
flat angles P-C4'-P energy: -9.443
tors. eta vs tors. theta energy: -17.236
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 27
Temperature: 1.200000
Total energy: -178.998550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.998550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.998550 (E_RNA)
where:
Base-Base interactions energy: -98.370
where: short stacking energy: -58.287
Base-Backbone interact. energy: -0.053
local terms energy: -80.576076
where:
bonds (distance) C4'-P energy: -18.485
bonds (distance) P-C4' energy: -21.566
flat angles C4'-P-C4' energy: -18.229
flat angles P-C4'-P energy: -9.056
tors. eta vs tors. theta energy: -13.239
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 27
Temperature: 1.250000
Total energy: -112.825499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.825499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.825499 (E_RNA)
where:
Base-Base interactions energy: -51.068
where: short stacking energy: -45.962
Base-Backbone interact. energy: -0.602
local terms energy: -61.156172
where:
bonds (distance) C4'-P energy: -17.625
bonds (distance) P-C4' energy: -18.189
flat angles C4'-P-C4' energy: -16.703
flat angles P-C4'-P energy: -12.043
tors. eta vs tors. theta energy: 3.404
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 27
Temperature: 1.300000
Total energy: -111.133518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.133518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.133518 (E_RNA)
where:
Base-Base interactions energy: -54.685
where: short stacking energy: -43.669
Base-Backbone interact. energy: -0.143
local terms energy: -56.304985
where:
bonds (distance) C4'-P energy: -13.092
bonds (distance) P-C4' energy: -13.810
flat angles C4'-P-C4' energy: -11.729
flat angles P-C4'-P energy: -13.902
tors. eta vs tors. theta energy: -3.772
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 27
Temperature: 1.350000
Total energy: -114.581742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.581742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.581742 (E_RNA)
where:
Base-Base interactions energy: -55.781
where: short stacking energy: -39.243
Base-Backbone interact. energy: -0.213
local terms energy: -58.588070
where:
bonds (distance) C4'-P energy: -17.231
bonds (distance) P-C4' energy: -14.041
flat angles C4'-P-C4' energy: -12.237
flat angles P-C4'-P energy: -12.044
tors. eta vs tors. theta energy: -3.034
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 28
Temperature: 0.900000
Total energy: -315.879964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.879964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.879964 (E_RNA)
where:
Base-Base interactions energy: -210.315
where: short stacking energy: -97.382
Base-Backbone interact. energy: -1.147
local terms energy: -104.418053
where:
bonds (distance) C4'-P energy: -17.206
bonds (distance) P-C4' energy: -21.502
flat angles C4'-P-C4' energy: -21.289
flat angles P-C4'-P energy: -18.251
tors. eta vs tors. theta energy: -26.169
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 28
Temperature: 0.950000
Total energy: -278.219194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.219194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.219194 (E_RNA)
where:
Base-Base interactions energy: -190.014
where: short stacking energy: -80.288
Base-Backbone interact. energy: -0.213
local terms energy: -87.992763
where:
bonds (distance) C4'-P energy: -15.423
bonds (distance) P-C4' energy: -22.744
flat angles C4'-P-C4' energy: -17.995
flat angles P-C4'-P energy: -11.519
tors. eta vs tors. theta energy: -20.311
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 28
Temperature: 1.000000
Total energy: -305.923728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.923728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.923728 (E_RNA)
where:
Base-Base interactions energy: -223.072
where: short stacking energy: -86.993
Base-Backbone interact. energy: 1.691
local terms energy: -84.543523
where:
bonds (distance) C4'-P energy: -18.910
bonds (distance) P-C4' energy: -16.557
flat angles C4'-P-C4' energy: -17.580
flat angles P-C4'-P energy: -15.125
tors. eta vs tors. theta energy: -16.371
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 28
Temperature: 1.050000
Total energy: -285.137439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.137439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.137439 (E_RNA)
where:
Base-Base interactions energy: -194.149
where: short stacking energy: -89.037
Base-Backbone interact. energy: -0.116
local terms energy: -90.872534
where:
bonds (distance) C4'-P energy: -14.475
bonds (distance) P-C4' energy: -17.450
flat angles C4'-P-C4' energy: -21.598
flat angles P-C4'-P energy: -12.904
tors. eta vs tors. theta energy: -24.445
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 28
Temperature: 1.100000
Total energy: -263.424729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.424729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.424729 (E_RNA)
where:
Base-Base interactions energy: -173.261
where: short stacking energy: -80.963
Base-Backbone interact. energy: -0.474
local terms energy: -89.690423
where:
bonds (distance) C4'-P energy: -21.674
bonds (distance) P-C4' energy: -18.336
flat angles C4'-P-C4' energy: -20.151
flat angles P-C4'-P energy: -10.357
tors. eta vs tors. theta energy: -19.173
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 28
Temperature: 1.150000
Total energy: -241.189487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.189487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.189487 (E_RNA)
where:
Base-Base interactions energy: -148.420
where: short stacking energy: -75.549
Base-Backbone interact. energy: -0.057
local terms energy: -92.712377
where:
bonds (distance) C4'-P energy: -18.292
bonds (distance) P-C4' energy: -19.527
flat angles C4'-P-C4' energy: -19.261
flat angles P-C4'-P energy: -16.601
tors. eta vs tors. theta energy: -19.031
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 28
Temperature: 1.200000
Total energy: -127.889643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.889643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.889643 (E_RNA)
where:
Base-Base interactions energy: -50.855
where: short stacking energy: -48.241
Base-Backbone interact. energy: -0.253
local terms energy: -76.781030
where:
bonds (distance) C4'-P energy: -18.404
bonds (distance) P-C4' energy: -19.945
flat angles C4'-P-C4' energy: -17.229
flat angles P-C4'-P energy: -13.173
tors. eta vs tors. theta energy: -8.030
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 28
Temperature: 1.250000
Total energy: -192.883512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.883512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.883512 (E_RNA)
where:
Base-Base interactions energy: -114.046
where: short stacking energy: -62.134
Base-Backbone interact. energy: -0.136
local terms energy: -78.701638
where:
bonds (distance) C4'-P energy: -12.743
bonds (distance) P-C4' energy: -17.816
flat angles C4'-P-C4' energy: -20.405
flat angles P-C4'-P energy: -12.437
tors. eta vs tors. theta energy: -15.301
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 28
Temperature: 1.300000
Total energy: -130.895984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.895984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.895984 (E_RNA)
where:
Base-Base interactions energy: -71.851
where: short stacking energy: -38.682
Base-Backbone interact. energy: -0.250
local terms energy: -58.795225
where:
bonds (distance) C4'-P energy: -14.671
bonds (distance) P-C4' energy: -20.085
flat angles C4'-P-C4' energy: -14.752
flat angles P-C4'-P energy: -6.829
tors. eta vs tors. theta energy: -2.459
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 28
Temperature: 1.350000
Total energy: -119.869092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.869092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.869092 (E_RNA)
where:
Base-Base interactions energy: -58.038
where: short stacking energy: -43.274
Base-Backbone interact. energy: 0.193
local terms energy: -62.024564
where:
bonds (distance) C4'-P energy: -11.010
bonds (distance) P-C4' energy: -21.898
flat angles C4'-P-C4' energy: -15.780
flat angles P-C4'-P energy: -8.571
tors. eta vs tors. theta energy: -4.766
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 29
Temperature: 0.900000
Total energy: -299.996522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.996522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.996522 (E_RNA)
where:
Base-Base interactions energy: -193.020
where: short stacking energy: -90.105
Base-Backbone interact. energy: -0.291
local terms energy: -106.685461
where:
bonds (distance) C4'-P energy: -22.517
bonds (distance) P-C4' energy: -21.685
flat angles C4'-P-C4' energy: -22.460
flat angles P-C4'-P energy: -13.150
tors. eta vs tors. theta energy: -26.873
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 29
Temperature: 0.950000
Total energy: -321.691783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.691783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.691783 (E_RNA)
where:
Base-Base interactions energy: -238.537
where: short stacking energy: -77.810
Base-Backbone interact. energy: -0.543
local terms energy: -82.611874
where:
bonds (distance) C4'-P energy: -17.815
bonds (distance) P-C4' energy: -20.143
flat angles C4'-P-C4' energy: -15.458
flat angles P-C4'-P energy: -10.371
tors. eta vs tors. theta energy: -18.824
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 29
Temperature: 1.000000
Total energy: -289.627683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.627683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.627683 (E_RNA)
where:
Base-Base interactions energy: -199.782
where: short stacking energy: -80.876
Base-Backbone interact. energy: -0.898
local terms energy: -88.948216
where:
bonds (distance) C4'-P energy: -16.230
bonds (distance) P-C4' energy: -22.216
flat angles C4'-P-C4' energy: -18.340
flat angles P-C4'-P energy: -10.108
tors. eta vs tors. theta energy: -22.054
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 29
Temperature: 1.050000
Total energy: -268.721647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.721647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.721647 (E_RNA)
where:
Base-Base interactions energy: -180.745
where: short stacking energy: -74.594
Base-Backbone interact. energy: 0.449
local terms energy: -88.425738
where:
bonds (distance) C4'-P energy: -18.085
bonds (distance) P-C4' energy: -20.150
flat angles C4'-P-C4' energy: -21.852
flat angles P-C4'-P energy: -10.656
tors. eta vs tors. theta energy: -17.682
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 29
Temperature: 1.100000
Total energy: -266.932407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.932407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.932407 (E_RNA)
where:
Base-Base interactions energy: -184.737
where: short stacking energy: -81.084
Base-Backbone interact. energy: 0.520
local terms energy: -82.715322
where:
bonds (distance) C4'-P energy: -18.325
bonds (distance) P-C4' energy: -16.899
flat angles C4'-P-C4' energy: -17.957
flat angles P-C4'-P energy: -10.088
tors. eta vs tors. theta energy: -19.446
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 29
Temperature: 1.150000
Total energy: -243.640528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.640528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.640528 (E_RNA)
where:
Base-Base interactions energy: -153.705
where: short stacking energy: -78.776
Base-Backbone interact. energy: 1.071
local terms energy: -91.006391
where:
bonds (distance) C4'-P energy: -16.392
bonds (distance) P-C4' energy: -19.979
flat angles C4'-P-C4' energy: -20.042
flat angles P-C4'-P energy: -11.224
tors. eta vs tors. theta energy: -23.369
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 29
Temperature: 1.200000
Total energy: -119.452278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.452278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.452278 (E_RNA)
where:
Base-Base interactions energy: -48.364
where: short stacking energy: -31.798
Base-Backbone interact. energy: -0.441
local terms energy: -70.646948
where:
bonds (distance) C4'-P energy: -18.175
bonds (distance) P-C4' energy: -18.951
flat angles C4'-P-C4' energy: -21.112
flat angles P-C4'-P energy: -11.029
tors. eta vs tors. theta energy: -1.381
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 29
Temperature: 1.250000
Total energy: -169.628201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.628201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.628201 (E_RNA)
where:
Base-Base interactions energy: -101.815
where: short stacking energy: -58.731
Base-Backbone interact. energy: -0.300
local terms energy: -67.512690
where:
bonds (distance) C4'-P energy: -17.070
bonds (distance) P-C4' energy: -16.441
flat angles C4'-P-C4' energy: -10.640
flat angles P-C4'-P energy: -12.324
tors. eta vs tors. theta energy: -11.037
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 29
Temperature: 1.300000
Total energy: -143.471889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.471889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.471889 (E_RNA)
where:
Base-Base interactions energy: -83.555
where: short stacking energy: -46.575
Base-Backbone interact. energy: -0.052
local terms energy: -59.864420
where:
bonds (distance) C4'-P energy: -13.344
bonds (distance) P-C4' energy: -21.891
flat angles C4'-P-C4' energy: -12.284
flat angles P-C4'-P energy: -5.823
tors. eta vs tors. theta energy: -6.524
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 29
Temperature: 1.350000
Total energy: -122.293903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.293903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.293903 (E_RNA)
where:
Base-Base interactions energy: -61.750
where: short stacking energy: -47.725
Base-Backbone interact. energy: 2.536
local terms energy: -63.080276
where:
bonds (distance) C4'-P energy: -16.009
bonds (distance) P-C4' energy: -18.103
flat angles C4'-P-C4' energy: -13.627
flat angles P-C4'-P energy: -11.592
tors. eta vs tors. theta energy: -3.749
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 30
Temperature: 0.900000
Total energy: -339.502655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.502655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.502655 (E_RNA)
where:
Base-Base interactions energy: -245.532
where: short stacking energy: -96.452
Base-Backbone interact. energy: -0.037
local terms energy: -93.934030
where:
bonds (distance) C4'-P energy: -18.822
bonds (distance) P-C4' energy: -18.387
flat angles C4'-P-C4' energy: -19.670
flat angles P-C4'-P energy: -12.266
tors. eta vs tors. theta energy: -24.789
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 30
Temperature: 0.950000
Total energy: -283.661298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.661298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.661298 (E_RNA)
where:
Base-Base interactions energy: -191.685
where: short stacking energy: -82.780
Base-Backbone interact. energy: -0.082
local terms energy: -91.893670
where:
bonds (distance) C4'-P energy: -18.160
bonds (distance) P-C4' energy: -16.194
flat angles C4'-P-C4' energy: -21.884
flat angles P-C4'-P energy: -12.911
tors. eta vs tors. theta energy: -22.744
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 30
Temperature: 1.000000
Total energy: -270.186672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.186672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.186672 (E_RNA)
where:
Base-Base interactions energy: -176.971
where: short stacking energy: -84.213
Base-Backbone interact. energy: -0.557
local terms energy: -92.658860
where:
bonds (distance) C4'-P energy: -19.435
bonds (distance) P-C4' energy: -20.639
flat angles C4'-P-C4' energy: -16.702
flat angles P-C4'-P energy: -16.551
tors. eta vs tors. theta energy: -19.332
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 30
Temperature: 1.050000
Total energy: -271.207916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.207916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.207916 (E_RNA)
where:
Base-Base interactions energy: -176.197
where: short stacking energy: -77.896
Base-Backbone interact. energy: 0.200
local terms energy: -95.210215
where:
bonds (distance) C4'-P energy: -17.091
bonds (distance) P-C4' energy: -22.900
flat angles C4'-P-C4' energy: -23.225
flat angles P-C4'-P energy: -12.274
tors. eta vs tors. theta energy: -19.720
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 30
Temperature: 1.100000
Total energy: -251.963221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.963221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.963221 (E_RNA)
where:
Base-Base interactions energy: -166.383
where: short stacking energy: -77.433
Base-Backbone interact. energy: -0.246
local terms energy: -85.334899
where:
bonds (distance) C4'-P energy: -17.435
bonds (distance) P-C4' energy: -19.287
flat angles C4'-P-C4' energy: -19.936
flat angles P-C4'-P energy: -11.404
tors. eta vs tors. theta energy: -17.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 30
Temperature: 1.150000
Total energy: -204.648327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.648327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.648327 (E_RNA)
where:
Base-Base interactions energy: -120.790
where: short stacking energy: -80.621
Base-Backbone interact. energy: -0.899
local terms energy: -82.959612
where:
bonds (distance) C4'-P energy: -17.174
bonds (distance) P-C4' energy: -17.883
flat angles C4'-P-C4' energy: -18.475
flat angles P-C4'-P energy: -12.744
tors. eta vs tors. theta energy: -16.683
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 30
Temperature: 1.200000
Total energy: -193.769126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.769126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.769126 (E_RNA)
where:
Base-Base interactions energy: -118.810
where: short stacking energy: -62.430
Base-Backbone interact. energy: -0.055
local terms energy: -74.903860
where:
bonds (distance) C4'-P energy: -14.031
bonds (distance) P-C4' energy: -21.121
flat angles C4'-P-C4' energy: -19.128
flat angles P-C4'-P energy: -6.126
tors. eta vs tors. theta energy: -14.497
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 30
Temperature: 1.250000
Total energy: -150.470981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.470981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.470981 (E_RNA)
where:
Base-Base interactions energy: -81.008
where: short stacking energy: -51.460
Base-Backbone interact. energy: -0.576
local terms energy: -68.886970
where:
bonds (distance) C4'-P energy: -19.827
bonds (distance) P-C4' energy: -18.356
flat angles C4'-P-C4' energy: -14.521
flat angles P-C4'-P energy: -9.461
tors. eta vs tors. theta energy: -6.723
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 30
Temperature: 1.300000
Total energy: -181.825087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.825087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.825087 (E_RNA)
where:
Base-Base interactions energy: -103.966
where: short stacking energy: -62.856
Base-Backbone interact. energy: -0.188
local terms energy: -77.670865
where:
bonds (distance) C4'-P energy: -17.696
bonds (distance) P-C4' energy: -21.305
flat angles C4'-P-C4' energy: -17.785
flat angles P-C4'-P energy: -7.760
tors. eta vs tors. theta energy: -13.124
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 30
Temperature: 1.350000
Total energy: -97.463665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.463665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.463665 (E_RNA)
where:
Base-Base interactions energy: -41.732
where: short stacking energy: -32.541
Base-Backbone interact. energy: -0.368
local terms energy: -55.363861
where:
bonds (distance) C4'-P energy: -13.708
bonds (distance) P-C4' energy: -19.721
flat angles C4'-P-C4' energy: -15.040
flat angles P-C4'-P energy: -13.471
tors. eta vs tors. theta energy: 6.576
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 31
Temperature: 0.900000
Total energy: -337.726679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.726679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.726679 (E_RNA)
where:
Base-Base interactions energy: -243.723
where: short stacking energy: -99.818
Base-Backbone interact. energy: 0.217
local terms energy: -94.219868
where:
bonds (distance) C4'-P energy: -17.525
bonds (distance) P-C4' energy: -22.931
flat angles C4'-P-C4' energy: -20.262
flat angles P-C4'-P energy: -12.002
tors. eta vs tors. theta energy: -21.500
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 31
Temperature: 0.950000
Total energy: -298.423942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.423942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.423942 (E_RNA)
where:
Base-Base interactions energy: -201.800
where: short stacking energy: -81.303
Base-Backbone interact. energy: -0.338
local terms energy: -96.286198
where:
bonds (distance) C4'-P energy: -20.485
bonds (distance) P-C4' energy: -20.474
flat angles C4'-P-C4' energy: -19.393
flat angles P-C4'-P energy: -8.556
tors. eta vs tors. theta energy: -27.378
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 31
Temperature: 1.000000
Total energy: -280.408636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.408636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.408636 (E_RNA)
where:
Base-Base interactions energy: -189.521
where: short stacking energy: -90.390
Base-Backbone interact. energy: 2.066
local terms energy: -92.953059
where:
bonds (distance) C4'-P energy: -20.207
bonds (distance) P-C4' energy: -21.693
flat angles C4'-P-C4' energy: -17.940
flat angles P-C4'-P energy: -14.376
tors. eta vs tors. theta energy: -18.737
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 31
Temperature: 1.050000
Total energy: -266.885065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.885065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.885065 (E_RNA)
where:
Base-Base interactions energy: -174.135
where: short stacking energy: -87.762
Base-Backbone interact. energy: 0.090
local terms energy: -92.840156
where:
bonds (distance) C4'-P energy: -19.843
bonds (distance) P-C4' energy: -17.119
flat angles C4'-P-C4' energy: -19.466
flat angles P-C4'-P energy: -12.159
tors. eta vs tors. theta energy: -24.253
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 31
Temperature: 1.100000
Total energy: -244.004971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.004971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.004971 (E_RNA)
where:
Base-Base interactions energy: -166.995
where: short stacking energy: -72.111
Base-Backbone interact. energy: 1.455
local terms energy: -78.464952
where:
bonds (distance) C4'-P energy: -17.519
bonds (distance) P-C4' energy: -22.218
flat angles C4'-P-C4' energy: -12.240
flat angles P-C4'-P energy: -10.272
tors. eta vs tors. theta energy: -16.215
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 31
Temperature: 1.150000
Total energy: -203.832458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.832458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.832458 (E_RNA)
where:
Base-Base interactions energy: -133.552
where: short stacking energy: -60.110
Base-Backbone interact. energy: -0.407
local terms energy: -69.873550
where:
bonds (distance) C4'-P energy: -13.358
bonds (distance) P-C4' energy: -19.729
flat angles C4'-P-C4' energy: -19.253
flat angles P-C4'-P energy: -12.375
tors. eta vs tors. theta energy: -5.160
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 31
Temperature: 1.200000
Total energy: -205.671900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.671900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.671900 (E_RNA)
where:
Base-Base interactions energy: -126.132
where: short stacking energy: -63.668
Base-Backbone interact. energy: -0.581
local terms energy: -78.959127
where:
bonds (distance) C4'-P energy: -19.203
bonds (distance) P-C4' energy: -19.654
flat angles C4'-P-C4' energy: -15.643
flat angles P-C4'-P energy: -8.144
tors. eta vs tors. theta energy: -16.315
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 31
Temperature: 1.250000
Total energy: -165.429459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.429459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.429459 (E_RNA)
where:
Base-Base interactions energy: -88.698
where: short stacking energy: -54.511
Base-Backbone interact. energy: -0.268
local terms energy: -76.463583
where:
bonds (distance) C4'-P energy: -16.719
bonds (distance) P-C4' energy: -18.196
flat angles C4'-P-C4' energy: -18.450
flat angles P-C4'-P energy: -15.204
tors. eta vs tors. theta energy: -7.893
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 31
Temperature: 1.300000
Total energy: -141.099553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.099553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.099553 (E_RNA)
where:
Base-Base interactions energy: -71.768
where: short stacking energy: -42.215
Base-Backbone interact. energy: -0.985
local terms energy: -68.346826
where:
bonds (distance) C4'-P energy: -14.135
bonds (distance) P-C4' energy: -19.986
flat angles C4'-P-C4' energy: -12.691
flat angles P-C4'-P energy: -12.700
tors. eta vs tors. theta energy: -8.835
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 31
Temperature: 1.350000
Total energy: -112.793413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.793413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.793413 (E_RNA)
where:
Base-Base interactions energy: -54.987
where: short stacking energy: -37.769
Base-Backbone interact. energy: -0.326
local terms energy: -57.479888
where:
bonds (distance) C4'-P energy: -20.067
bonds (distance) P-C4' energy: -19.862
flat angles C4'-P-C4' energy: -9.417
flat angles P-C4'-P energy: -8.895
tors. eta vs tors. theta energy: 0.761
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 32
Temperature: 0.900000
Total energy: -303.507803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.507803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.507803 (E_RNA)
where:
Base-Base interactions energy: -197.609
where: short stacking energy: -91.902
Base-Backbone interact. energy: -1.228
local terms energy: -104.671220
where:
bonds (distance) C4'-P energy: -19.583
bonds (distance) P-C4' energy: -20.315
flat angles C4'-P-C4' energy: -21.844
flat angles P-C4'-P energy: -16.404
tors. eta vs tors. theta energy: -26.525
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 32
Temperature: 0.950000
Total energy: -333.917134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.917134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.917134 (E_RNA)
where:
Base-Base interactions energy: -249.611
where: short stacking energy: -95.930
Base-Backbone interact. energy: -0.425
local terms energy: -83.881482
where:
bonds (distance) C4'-P energy: -14.103
bonds (distance) P-C4' energy: -19.148
flat angles C4'-P-C4' energy: -19.435
flat angles P-C4'-P energy: -11.034
tors. eta vs tors. theta energy: -20.162
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 32
Temperature: 1.000000
Total energy: -282.493746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.493746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.493746 (E_RNA)
where:
Base-Base interactions energy: -188.707
where: short stacking energy: -90.755
Base-Backbone interact. energy: -0.465
local terms energy: -93.321213
where:
bonds (distance) C4'-P energy: -17.712
bonds (distance) P-C4' energy: -22.786
flat angles C4'-P-C4' energy: -21.531
flat angles P-C4'-P energy: -13.067
tors. eta vs tors. theta energy: -18.226
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 32
Temperature: 1.050000
Total energy: -278.680845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.680845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.680845 (E_RNA)
where:
Base-Base interactions energy: -184.457
where: short stacking energy: -86.316
Base-Backbone interact. energy: -1.042
local terms energy: -93.182711
where:
bonds (distance) C4'-P energy: -19.446
bonds (distance) P-C4' energy: -18.085
flat angles C4'-P-C4' energy: -20.403
flat angles P-C4'-P energy: -13.751
tors. eta vs tors. theta energy: -21.497
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 32
Temperature: 1.100000
Total energy: -219.665049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.665049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.665049 (E_RNA)
where:
Base-Base interactions energy: -132.308
where: short stacking energy: -73.344
Base-Backbone interact. energy: -0.256
local terms energy: -87.101082
where:
bonds (distance) C4'-P energy: -18.892
bonds (distance) P-C4' energy: -20.805
flat angles C4'-P-C4' energy: -20.188
flat angles P-C4'-P energy: -10.998
tors. eta vs tors. theta energy: -16.218
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 32
Temperature: 1.150000
Total energy: -236.231755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.231755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.231755 (E_RNA)
where:
Base-Base interactions energy: -160.503
where: short stacking energy: -62.572
Base-Backbone interact. energy: 1.360
local terms energy: -77.088457
where:
bonds (distance) C4'-P energy: -13.778
bonds (distance) P-C4' energy: -22.771
flat angles C4'-P-C4' energy: -18.862
flat angles P-C4'-P energy: -15.682
tors. eta vs tors. theta energy: -5.996
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 32
Temperature: 1.200000
Total energy: -196.299930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.299930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.299930 (E_RNA)
where:
Base-Base interactions energy: -120.342
where: short stacking energy: -58.747
Base-Backbone interact. energy: -0.463
local terms energy: -75.494763
where:
bonds (distance) C4'-P energy: -12.918
bonds (distance) P-C4' energy: -17.978
flat angles C4'-P-C4' energy: -20.169
flat angles P-C4'-P energy: -13.350
tors. eta vs tors. theta energy: -11.080
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 32
Temperature: 1.250000
Total energy: -191.709662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.709662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.709662 (E_RNA)
where:
Base-Base interactions energy: -124.183
where: short stacking energy: -68.276
Base-Backbone interact. energy: 0.825
local terms energy: -68.351357
where:
bonds (distance) C4'-P energy: -14.828
bonds (distance) P-C4' energy: -16.512
flat angles C4'-P-C4' energy: -17.757
flat angles P-C4'-P energy: -10.504
tors. eta vs tors. theta energy: -8.750
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 32
Temperature: 1.300000
Total energy: -116.076342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.076342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.076342 (E_RNA)
where:
Base-Base interactions energy: -53.743
where: short stacking energy: -39.038
Base-Backbone interact. energy: 1.187
local terms energy: -63.520025
where:
bonds (distance) C4'-P energy: -19.877
bonds (distance) P-C4' energy: -13.049
flat angles C4'-P-C4' energy: -19.159
flat angles P-C4'-P energy: -9.763
tors. eta vs tors. theta energy: -1.672
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 32
Temperature: 1.350000
Total energy: -111.668443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.668443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.668443 (E_RNA)
where:
Base-Base interactions energy: -53.884
where: short stacking energy: -34.847
Base-Backbone interact. energy: -0.101
local terms energy: -57.682625
where:
bonds (distance) C4'-P energy: -10.568
bonds (distance) P-C4' energy: -21.849
flat angles C4'-P-C4' energy: -13.625
flat angles P-C4'-P energy: -7.874
tors. eta vs tors. theta energy: -3.767
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 33
Temperature: 0.900000
Total energy: -317.313466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.313466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.313466 (E_RNA)
where:
Base-Base interactions energy: -213.884
where: short stacking energy: -97.379
Base-Backbone interact. energy: -1.478
local terms energy: -101.951563
where:
bonds (distance) C4'-P energy: -20.920
bonds (distance) P-C4' energy: -18.363
flat angles C4'-P-C4' energy: -21.100
flat angles P-C4'-P energy: -16.097
tors. eta vs tors. theta energy: -25.472
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 33
Temperature: 0.950000
Total energy: -327.953872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.953872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.953872 (E_RNA)
where:
Base-Base interactions energy: -231.871
where: short stacking energy: -83.923
Base-Backbone interact. energy: -0.503
local terms energy: -95.579773
where:
bonds (distance) C4'-P energy: -16.855
bonds (distance) P-C4' energy: -24.402
flat angles C4'-P-C4' energy: -18.547
flat angles P-C4'-P energy: -14.343
tors. eta vs tors. theta energy: -21.432
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 33
Temperature: 1.000000
Total energy: -273.549572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.549572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.549572 (E_RNA)
where:
Base-Base interactions energy: -176.326
where: short stacking energy: -85.258
Base-Backbone interact. energy: -0.164
local terms energy: -97.058960
where:
bonds (distance) C4'-P energy: -20.346
bonds (distance) P-C4' energy: -20.360
flat angles C4'-P-C4' energy: -19.936
flat angles P-C4'-P energy: -11.549
tors. eta vs tors. theta energy: -24.869
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 33
Temperature: 1.050000
Total energy: -277.350648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.350648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.350648 (E_RNA)
where:
Base-Base interactions energy: -184.794
where: short stacking energy: -88.230
Base-Backbone interact. energy: -0.401
local terms energy: -92.155022
where:
bonds (distance) C4'-P energy: -19.888
bonds (distance) P-C4' energy: -21.794
flat angles C4'-P-C4' energy: -22.352
flat angles P-C4'-P energy: -10.146
tors. eta vs tors. theta energy: -17.974
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 33
Temperature: 1.100000
Total energy: -208.732002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.732002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.732002 (E_RNA)
where:
Base-Base interactions energy: -133.485
where: short stacking energy: -77.216
Base-Backbone interact. energy: 0.282
local terms energy: -75.528882
where:
bonds (distance) C4'-P energy: -12.341
bonds (distance) P-C4' energy: -12.931
flat angles C4'-P-C4' energy: -20.994
flat angles P-C4'-P energy: -9.084
tors. eta vs tors. theta energy: -20.178
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 33
Temperature: 1.150000
Total energy: -249.966319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.966319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.966319 (E_RNA)
where:
Base-Base interactions energy: -182.681
where: short stacking energy: -56.885
Base-Backbone interact. energy: 0.778
local terms energy: -68.063232
where:
bonds (distance) C4'-P energy: -18.358
bonds (distance) P-C4' energy: -16.532
flat angles C4'-P-C4' energy: -15.863
flat angles P-C4'-P energy: -6.975
tors. eta vs tors. theta energy: -10.334
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 33
Temperature: 1.200000
Total energy: -179.413522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.413522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.413522 (E_RNA)
where:
Base-Base interactions energy: -102.362
where: short stacking energy: -53.819
Base-Backbone interact. energy: -1.176
local terms energy: -75.875663
where:
bonds (distance) C4'-P energy: -17.882
bonds (distance) P-C4' energy: -14.978
flat angles C4'-P-C4' energy: -14.958
flat angles P-C4'-P energy: -13.817
tors. eta vs tors. theta energy: -14.242
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 33
Temperature: 1.250000
Total energy: -121.358283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.358283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.358283 (E_RNA)
where:
Base-Base interactions energy: -58.086
where: short stacking energy: -44.697
Base-Backbone interact. energy: -0.305
local terms energy: -62.968072
where:
bonds (distance) C4'-P energy: -12.838
bonds (distance) P-C4' energy: -18.556
flat angles C4'-P-C4' energy: -20.088
flat angles P-C4'-P energy: -9.941
tors. eta vs tors. theta energy: -1.545
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 33
Temperature: 1.300000
Total energy: -134.164084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.164084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.164084 (E_RNA)
where:
Base-Base interactions energy: -68.784
where: short stacking energy: -40.773
Base-Backbone interact. energy: -0.234
local terms energy: -65.145777
where:
bonds (distance) C4'-P energy: -20.303
bonds (distance) P-C4' energy: -21.600
flat angles C4'-P-C4' energy: -9.745
flat angles P-C4'-P energy: -7.658
tors. eta vs tors. theta energy: -5.840
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 33
Temperature: 1.350000
Total energy: -112.394667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.394667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.394667 (E_RNA)
where:
Base-Base interactions energy: -52.882
where: short stacking energy: -32.107
Base-Backbone interact. energy: -0.066
local terms energy: -59.446270
where:
bonds (distance) C4'-P energy: -20.605
bonds (distance) P-C4' energy: -13.551
flat angles C4'-P-C4' energy: -11.858
flat angles P-C4'-P energy: -12.602
tors. eta vs tors. theta energy: -0.830
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 34
Temperature: 0.900000
Total energy: -332.285661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.285661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.285661 (E_RNA)
where:
Base-Base interactions energy: -235.537
where: short stacking energy: -92.715
Base-Backbone interact. energy: -0.433
local terms energy: -96.316548
where:
bonds (distance) C4'-P energy: -16.443
bonds (distance) P-C4' energy: -22.331
flat angles C4'-P-C4' energy: -23.192
flat angles P-C4'-P energy: -14.146
tors. eta vs tors. theta energy: -20.205
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 34
Temperature: 0.950000
Total energy: -312.030388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.030388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.030388 (E_RNA)
where:
Base-Base interactions energy: -212.522
where: short stacking energy: -100.125
Base-Backbone interact. energy: -0.273
local terms energy: -99.235440
where:
bonds (distance) C4'-P energy: -21.016
bonds (distance) P-C4' energy: -19.808
flat angles C4'-P-C4' energy: -21.278
flat angles P-C4'-P energy: -9.156
tors. eta vs tors. theta energy: -27.978
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 34
Temperature: 1.000000
Total energy: -285.628397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.628397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.628397 (E_RNA)
where:
Base-Base interactions energy: -194.281
where: short stacking energy: -89.281
Base-Backbone interact. energy: -0.594
local terms energy: -90.753662
where:
bonds (distance) C4'-P energy: -17.972
bonds (distance) P-C4' energy: -13.992
flat angles C4'-P-C4' energy: -20.378
flat angles P-C4'-P energy: -15.129
tors. eta vs tors. theta energy: -23.282
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 34
Temperature: 1.050000
Total energy: -251.507965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.507965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.507965 (E_RNA)
where:
Base-Base interactions energy: -172.061
where: short stacking energy: -73.801
Base-Backbone interact. energy: -0.003
local terms energy: -79.443507
where:
bonds (distance) C4'-P energy: -12.319
bonds (distance) P-C4' energy: -21.641
flat angles C4'-P-C4' energy: -16.230
flat angles P-C4'-P energy: -10.960
tors. eta vs tors. theta energy: -18.294
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 34
Temperature: 1.100000
Total energy: -209.840942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.840942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.840942 (E_RNA)
where:
Base-Base interactions energy: -126.691
where: short stacking energy: -70.606
Base-Backbone interact. energy: -0.278
local terms energy: -82.871983
where:
bonds (distance) C4'-P energy: -12.694
bonds (distance) P-C4' energy: -21.612
flat angles C4'-P-C4' energy: -17.841
flat angles P-C4'-P energy: -12.081
tors. eta vs tors. theta energy: -18.643
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 34
Temperature: 1.150000
Total energy: -204.326976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.326976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.326976 (E_RNA)
where:
Base-Base interactions energy: -137.350
where: short stacking energy: -51.514
Base-Backbone interact. energy: -0.676
local terms energy: -66.300839
where:
bonds (distance) C4'-P energy: -15.620
bonds (distance) P-C4' energy: -19.330
flat angles C4'-P-C4' energy: -18.303
flat angles P-C4'-P energy: -6.148
tors. eta vs tors. theta energy: -6.899
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 34
Temperature: 1.200000
Total energy: -181.599088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.599088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.599088 (E_RNA)
where:
Base-Base interactions energy: -103.914
where: short stacking energy: -66.406
Base-Backbone interact. energy: -0.027
local terms energy: -77.658230
where:
bonds (distance) C4'-P energy: -14.885
bonds (distance) P-C4' energy: -22.240
flat angles C4'-P-C4' energy: -12.920
flat angles P-C4'-P energy: -14.598
tors. eta vs tors. theta energy: -13.015
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 34
Temperature: 1.250000
Total energy: -119.400191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.400191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.400191 (E_RNA)
where:
Base-Base interactions energy: -53.352
where: short stacking energy: -44.993
Base-Backbone interact. energy: -0.626
local terms energy: -65.421672
where:
bonds (distance) C4'-P energy: -15.919
bonds (distance) P-C4' energy: -18.070
flat angles C4'-P-C4' energy: -18.100
flat angles P-C4'-P energy: -7.581
tors. eta vs tors. theta energy: -5.752
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 34
Temperature: 1.300000
Total energy: -107.681409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.681409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.681409 (E_RNA)
where:
Base-Base interactions energy: -53.976
where: short stacking energy: -41.253
Base-Backbone interact. energy: 0.284
local terms energy: -53.989435
where:
bonds (distance) C4'-P energy: -14.955
bonds (distance) P-C4' energy: -20.818
flat angles C4'-P-C4' energy: -11.486
flat angles P-C4'-P energy: -5.955
tors. eta vs tors. theta energy: -0.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 34
Temperature: 1.350000
Total energy: -99.491762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.491762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.491762 (E_RNA)
where:
Base-Base interactions energy: -41.774
where: short stacking energy: -31.747
Base-Backbone interact. energy: -0.277
local terms energy: -57.440350
where:
bonds (distance) C4'-P energy: -17.452
bonds (distance) P-C4' energy: -22.047
flat angles C4'-P-C4' energy: -17.970
flat angles P-C4'-P energy: -4.392
tors. eta vs tors. theta energy: 4.421
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 35
Temperature: 0.900000
Total energy: -333.086417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.086417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.086417 (E_RNA)
where:
Base-Base interactions energy: -237.470
where: short stacking energy: -94.493
Base-Backbone interact. energy: -0.207
local terms energy: -95.409028
where:
bonds (distance) C4'-P energy: -19.272
bonds (distance) P-C4' energy: -20.176
flat angles C4'-P-C4' energy: -19.654
flat angles P-C4'-P energy: -13.986
tors. eta vs tors. theta energy: -22.321
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 35
Temperature: 0.950000
Total energy: -305.418735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.418735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.418735 (E_RNA)
where:
Base-Base interactions energy: -203.330
where: short stacking energy: -99.843
Base-Backbone interact. energy: -2.453
local terms energy: -99.635901
where:
bonds (distance) C4'-P energy: -15.216
bonds (distance) P-C4' energy: -21.161
flat angles C4'-P-C4' energy: -22.009
flat angles P-C4'-P energy: -12.627
tors. eta vs tors. theta energy: -28.623
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 35
Temperature: 1.000000
Total energy: -295.612062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.612062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.612062 (E_RNA)
where:
Base-Base interactions energy: -209.404
where: short stacking energy: -92.353
Base-Backbone interact. energy: -0.293
local terms energy: -85.915808
where:
bonds (distance) C4'-P energy: -13.322
bonds (distance) P-C4' energy: -20.462
flat angles C4'-P-C4' energy: -21.798
flat angles P-C4'-P energy: -7.215
tors. eta vs tors. theta energy: -23.119
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 35
Temperature: 1.050000
Total energy: -265.242415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.242415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.242415 (E_RNA)
where:
Base-Base interactions energy: -183.812
where: short stacking energy: -73.593
Base-Backbone interact. energy: -0.205
local terms energy: -81.225413
where:
bonds (distance) C4'-P energy: -13.753
bonds (distance) P-C4' energy: -21.352
flat angles C4'-P-C4' energy: -17.919
flat angles P-C4'-P energy: -13.338
tors. eta vs tors. theta energy: -14.863
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 35
Temperature: 1.100000
Total energy: -239.606377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.606377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.606377 (E_RNA)
where:
Base-Base interactions energy: -156.701
where: short stacking energy: -78.316
Base-Backbone interact. energy: -0.379
local terms energy: -82.525504
where:
bonds (distance) C4'-P energy: -14.505
bonds (distance) P-C4' energy: -16.513
flat angles C4'-P-C4' energy: -18.828
flat angles P-C4'-P energy: -14.826
tors. eta vs tors. theta energy: -17.853
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 35
Temperature: 1.150000
Total energy: -204.108526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.108526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.108526 (E_RNA)
where:
Base-Base interactions energy: -116.991
where: short stacking energy: -75.564
Base-Backbone interact. energy: -0.255
local terms energy: -86.862580
where:
bonds (distance) C4'-P energy: -19.915
bonds (distance) P-C4' energy: -14.995
flat angles C4'-P-C4' energy: -19.056
flat angles P-C4'-P energy: -10.934
tors. eta vs tors. theta energy: -21.963
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 35
Temperature: 1.200000
Total energy: -176.065689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.065689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.065689 (E_RNA)
where:
Base-Base interactions energy: -110.215
where: short stacking energy: -50.447
Base-Backbone interact. energy: -0.752
local terms energy: -65.098316
where:
bonds (distance) C4'-P energy: -16.867
bonds (distance) P-C4' energy: -18.379
flat angles C4'-P-C4' energy: -14.130
flat angles P-C4'-P energy: -9.800
tors. eta vs tors. theta energy: -5.922
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 35
Temperature: 1.250000
Total energy: -102.595968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.595968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.595968 (E_RNA)
where:
Base-Base interactions energy: -35.390
where: short stacking energy: -31.873
Base-Backbone interact. energy: -0.847
local terms energy: -66.358922
where:
bonds (distance) C4'-P energy: -19.319
bonds (distance) P-C4' energy: -20.566
flat angles C4'-P-C4' energy: -16.017
flat angles P-C4'-P energy: -8.014
tors. eta vs tors. theta energy: -2.442
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 35
Temperature: 1.300000
Total energy: -103.797767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.797767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.797767 (E_RNA)
where:
Base-Base interactions energy: -49.765
where: short stacking energy: -40.981
Base-Backbone interact. energy: 0.629
local terms energy: -54.662008
where:
bonds (distance) C4'-P energy: -12.964
bonds (distance) P-C4' energy: -15.953
flat angles C4'-P-C4' energy: -17.897
flat angles P-C4'-P energy: -6.637
tors. eta vs tors. theta energy: -1.212
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 35
Temperature: 1.350000
Total energy: -112.096314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.096314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.096314 (E_RNA)
where:
Base-Base interactions energy: -53.499
where: short stacking energy: -31.248
Base-Backbone interact. energy: -0.297
local terms energy: -58.300032
where:
bonds (distance) C4'-P energy: -17.256
bonds (distance) P-C4' energy: -15.576
flat angles C4'-P-C4' energy: -14.000
flat angles P-C4'-P energy: -10.657
tors. eta vs tors. theta energy: -0.811
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 36
Temperature: 0.900000
Total energy: -328.563079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.563079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.563079 (E_RNA)
where:
Base-Base interactions energy: -243.560
where: short stacking energy: -93.205
Base-Backbone interact. energy: -0.597
local terms energy: -84.406243
where:
bonds (distance) C4'-P energy: -18.867
bonds (distance) P-C4' energy: -19.720
flat angles C4'-P-C4' energy: -17.294
flat angles P-C4'-P energy: -8.519
tors. eta vs tors. theta energy: -20.006
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 36
Temperature: 0.950000
Total energy: -299.507893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.507893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.507893 (E_RNA)
where:
Base-Base interactions energy: -210.459
where: short stacking energy: -90.828
Base-Backbone interact. energy: 0.044
local terms energy: -89.092818
where:
bonds (distance) C4'-P energy: -17.476
bonds (distance) P-C4' energy: -18.155
flat angles C4'-P-C4' energy: -18.920
flat angles P-C4'-P energy: -10.814
tors. eta vs tors. theta energy: -23.727
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 36
Temperature: 1.000000
Total energy: -269.196676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.196676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.196676 (E_RNA)
where:
Base-Base interactions energy: -186.199
where: short stacking energy: -78.416
Base-Backbone interact. energy: -0.417
local terms energy: -82.580861
where:
bonds (distance) C4'-P energy: -14.198
bonds (distance) P-C4' energy: -20.728
flat angles C4'-P-C4' energy: -19.413
flat angles P-C4'-P energy: -13.981
tors. eta vs tors. theta energy: -14.262
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 36
Temperature: 1.050000
Total energy: -286.087272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.087272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.087272 (E_RNA)
where:
Base-Base interactions energy: -190.408
where: short stacking energy: -86.799
Base-Backbone interact. energy: -0.547
local terms energy: -95.131508
where:
bonds (distance) C4'-P energy: -17.128
bonds (distance) P-C4' energy: -22.871
flat angles C4'-P-C4' energy: -18.599
flat angles P-C4'-P energy: -11.452
tors. eta vs tors. theta energy: -25.081
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 36
Temperature: 1.100000
Total energy: -248.798204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.798204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.798204 (E_RNA)
where:
Base-Base interactions energy: -161.182
where: short stacking energy: -72.200
Base-Backbone interact. energy: -0.228
local terms energy: -87.387989
where:
bonds (distance) C4'-P energy: -18.433
bonds (distance) P-C4' energy: -22.106
flat angles C4'-P-C4' energy: -17.169
flat angles P-C4'-P energy: -15.044
tors. eta vs tors. theta energy: -14.636
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 36
Temperature: 1.150000
Total energy: -174.289791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.289791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.289791 (E_RNA)
where:
Base-Base interactions energy: -109.973
where: short stacking energy: -62.563
Base-Backbone interact. energy: -0.001
local terms energy: -64.316576
where:
bonds (distance) C4'-P energy: -12.529
bonds (distance) P-C4' energy: -10.396
flat angles C4'-P-C4' energy: -18.911
flat angles P-C4'-P energy: -10.750
tors. eta vs tors. theta energy: -11.731
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 36
Temperature: 1.200000
Total energy: -111.568957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.568957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.568957 (E_RNA)
where:
Base-Base interactions energy: -44.445
where: short stacking energy: -41.286
Base-Backbone interact. energy: -0.115
local terms energy: -67.008565
where:
bonds (distance) C4'-P energy: -17.753
bonds (distance) P-C4' energy: -17.305
flat angles C4'-P-C4' energy: -20.830
flat angles P-C4'-P energy: -9.908
tors. eta vs tors. theta energy: -1.212
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 36
Temperature: 1.250000
Total energy: -168.417928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.417928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.417928 (E_RNA)
where:
Base-Base interactions energy: -90.133
where: short stacking energy: -56.110
Base-Backbone interact. energy: -0.076
local terms energy: -78.209280
where:
bonds (distance) C4'-P energy: -15.921
bonds (distance) P-C4' energy: -18.777
flat angles C4'-P-C4' energy: -17.910
flat angles P-C4'-P energy: -14.380
tors. eta vs tors. theta energy: -11.222
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 36
Temperature: 1.300000
Total energy: -134.456496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.456496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.456496 (E_RNA)
where:
Base-Base interactions energy: -64.692
where: short stacking energy: -42.802
Base-Backbone interact. energy: -0.145
local terms energy: -69.620117
where:
bonds (distance) C4'-P energy: -15.646
bonds (distance) P-C4' energy: -17.337
flat angles C4'-P-C4' energy: -20.273
flat angles P-C4'-P energy: -10.942
tors. eta vs tors. theta energy: -5.423
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 36
Temperature: 1.350000
Total energy: -101.744971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.744971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.744971 (E_RNA)
where:
Base-Base interactions energy: -46.492
where: short stacking energy: -27.159
Base-Backbone interact. energy: -0.338
local terms energy: -54.915548
where:
bonds (distance) C4'-P energy: -14.851
bonds (distance) P-C4' energy: -8.501
flat angles C4'-P-C4' energy: -21.549
flat angles P-C4'-P energy: -9.797
tors. eta vs tors. theta energy: -0.218
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 37
Temperature: 0.900000
Total energy: -327.201165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.201165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.201165 (E_RNA)
where:
Base-Base interactions energy: -234.211
where: short stacking energy: -94.264
Base-Backbone interact. energy: -0.261
local terms energy: -92.728697
where:
bonds (distance) C4'-P energy: -20.433
bonds (distance) P-C4' energy: -18.318
flat angles C4'-P-C4' energy: -20.848
flat angles P-C4'-P energy: -12.233
tors. eta vs tors. theta energy: -20.897
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 37
Temperature: 0.950000
Total energy: -288.596400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.596400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.596400 (E_RNA)
where:
Base-Base interactions energy: -192.147
where: short stacking energy: -70.869
Base-Backbone interact. energy: -0.277
local terms energy: -96.171647
where:
bonds (distance) C4'-P energy: -22.457
bonds (distance) P-C4' energy: -21.048
flat angles C4'-P-C4' energy: -22.365
flat angles P-C4'-P energy: -10.946
tors. eta vs tors. theta energy: -19.355
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 37
Temperature: 1.000000
Total energy: -262.865459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.865459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.865459 (E_RNA)
where:
Base-Base interactions energy: -174.654
where: short stacking energy: -70.150
Base-Backbone interact. energy: -0.221
local terms energy: -87.991028
where:
bonds (distance) C4'-P energy: -17.893
bonds (distance) P-C4' energy: -21.181
flat angles C4'-P-C4' energy: -18.880
flat angles P-C4'-P energy: -15.260
tors. eta vs tors. theta energy: -14.777
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 37
Temperature: 1.050000
Total energy: -278.439424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.439424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.439424 (E_RNA)
where:
Base-Base interactions energy: -185.142
where: short stacking energy: -76.970
Base-Backbone interact. energy: -0.079
local terms energy: -93.218156
where:
bonds (distance) C4'-P energy: -20.325
bonds (distance) P-C4' energy: -17.206
flat angles C4'-P-C4' energy: -22.717
flat angles P-C4'-P energy: -9.316
tors. eta vs tors. theta energy: -23.654
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 37
Temperature: 1.100000
Total energy: -256.086573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.086573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.086573 (E_RNA)
where:
Base-Base interactions energy: -172.815
where: short stacking energy: -81.778
Base-Backbone interact. energy: -0.205
local terms energy: -83.066069
where:
bonds (distance) C4'-P energy: -17.567
bonds (distance) P-C4' energy: -16.597
flat angles C4'-P-C4' energy: -21.188
flat angles P-C4'-P energy: -9.247
tors. eta vs tors. theta energy: -18.468
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 37
Temperature: 1.150000
Total energy: -219.564771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.564771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.564771 (E_RNA)
where:
Base-Base interactions energy: -132.085
where: short stacking energy: -80.709
Base-Backbone interact. energy: -0.784
local terms energy: -86.695714
where:
bonds (distance) C4'-P energy: -15.836
bonds (distance) P-C4' energy: -14.293
flat angles C4'-P-C4' energy: -17.892
flat angles P-C4'-P energy: -13.606
tors. eta vs tors. theta energy: -25.070
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 37
Temperature: 1.200000
Total energy: -114.608284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.608284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.608284 (E_RNA)
where:
Base-Base interactions energy: -51.041
where: short stacking energy: -40.057
Base-Backbone interact. energy: -0.237
local terms energy: -63.330888
where:
bonds (distance) C4'-P energy: -16.605
bonds (distance) P-C4' energy: -21.088
flat angles C4'-P-C4' energy: -17.855
flat angles P-C4'-P energy: -3.829
tors. eta vs tors. theta energy: -3.955
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 37
Temperature: 1.250000
Total energy: -138.262191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.262191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.262191 (E_RNA)
where:
Base-Base interactions energy: -76.361
where: short stacking energy: -49.969
Base-Backbone interact. energy: -0.931
local terms energy: -60.970125
where:
bonds (distance) C4'-P energy: -15.649
bonds (distance) P-C4' energy: -15.673
flat angles C4'-P-C4' energy: -14.617
flat angles P-C4'-P energy: -12.715
tors. eta vs tors. theta energy: -2.316
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 37
Temperature: 1.300000
Total energy: -118.203419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.203419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.203419 (E_RNA)
where:
Base-Base interactions energy: -50.374
where: short stacking energy: -50.374
Base-Backbone interact. energy: -0.169
local terms energy: -67.660365
where:
bonds (distance) C4'-P energy: -15.816
bonds (distance) P-C4' energy: -14.050
flat angles C4'-P-C4' energy: -18.152
flat angles P-C4'-P energy: -10.465
tors. eta vs tors. theta energy: -9.178
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 37
Temperature: 1.350000
Total energy: -83.056904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.056904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.056904 (E_RNA)
where:
Base-Base interactions energy: -31.155
where: short stacking energy: -31.155
Base-Backbone interact. energy: -0.219
local terms energy: -51.682641
where:
bonds (distance) C4'-P energy: -15.318
bonds (distance) P-C4' energy: -19.070
flat angles C4'-P-C4' energy: -9.498
flat angles P-C4'-P energy: -6.528
tors. eta vs tors. theta energy: -1.268
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 38
Temperature: 0.900000
Total energy: -330.464212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.464212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.464212 (E_RNA)
where:
Base-Base interactions energy: -236.263
where: short stacking energy: -88.929
Base-Backbone interact. energy: -0.667
local terms energy: -93.534723
where:
bonds (distance) C4'-P energy: -17.840
bonds (distance) P-C4' energy: -22.941
flat angles C4'-P-C4' energy: -19.376
flat angles P-C4'-P energy: -13.430
tors. eta vs tors. theta energy: -19.948
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 38
Temperature: 0.950000
Total energy: -295.700641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.700641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.700641 (E_RNA)
where:
Base-Base interactions energy: -198.680
where: short stacking energy: -94.965
Base-Backbone interact. energy: -0.303
local terms energy: -96.717016
where:
bonds (distance) C4'-P energy: -19.135
bonds (distance) P-C4' energy: -17.055
flat angles C4'-P-C4' energy: -19.540
flat angles P-C4'-P energy: -13.027
tors. eta vs tors. theta energy: -27.961
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 38
Temperature: 1.000000
Total energy: -280.327352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.327352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.327352 (E_RNA)
where:
Base-Base interactions energy: -188.546
where: short stacking energy: -83.647
Base-Backbone interact. energy: -0.827
local terms energy: -90.954232
where:
bonds (distance) C4'-P energy: -13.949
bonds (distance) P-C4' energy: -19.040
flat angles C4'-P-C4' energy: -22.739
flat angles P-C4'-P energy: -16.824
tors. eta vs tors. theta energy: -18.403
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 38
Temperature: 1.050000
Total energy: -287.883593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.883593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.883593 (E_RNA)
where:
Base-Base interactions energy: -192.684
where: short stacking energy: -81.549
Base-Backbone interact. energy: -1.053
local terms energy: -94.146495
where:
bonds (distance) C4'-P energy: -19.176
bonds (distance) P-C4' energy: -16.427
flat angles C4'-P-C4' energy: -23.077
flat angles P-C4'-P energy: -12.146
tors. eta vs tors. theta energy: -23.321
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 38
Temperature: 1.100000
Total energy: -259.101104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.101104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.101104 (E_RNA)
where:
Base-Base interactions energy: -162.877
where: short stacking energy: -71.947
Base-Backbone interact. energy: -0.307
local terms energy: -95.916554
where:
bonds (distance) C4'-P energy: -21.881
bonds (distance) P-C4' energy: -21.228
flat angles C4'-P-C4' energy: -19.837
flat angles P-C4'-P energy: -15.211
tors. eta vs tors. theta energy: -17.760
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 38
Temperature: 1.150000
Total energy: -193.729542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.729542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.729542 (E_RNA)
where:
Base-Base interactions energy: -114.009
where: short stacking energy: -76.547
Base-Backbone interact. energy: -0.050
local terms energy: -79.671099
where:
bonds (distance) C4'-P energy: -14.346
bonds (distance) P-C4' energy: -14.394
flat angles C4'-P-C4' energy: -19.044
flat angles P-C4'-P energy: -11.829
tors. eta vs tors. theta energy: -20.058
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 38
Temperature: 1.200000
Total energy: -123.572852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.572852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.572852 (E_RNA)
where:
Base-Base interactions energy: -53.487
where: short stacking energy: -37.751
Base-Backbone interact. energy: 0.122
local terms energy: -70.208097
where:
bonds (distance) C4'-P energy: -15.680
bonds (distance) P-C4' energy: -16.894
flat angles C4'-P-C4' energy: -19.657
flat angles P-C4'-P energy: -13.566
tors. eta vs tors. theta energy: -4.411
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 38
Temperature: 1.250000
Total energy: -120.441091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.441091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.441091 (E_RNA)
where:
Base-Base interactions energy: -47.827
where: short stacking energy: -47.827
Base-Backbone interact. energy: -0.114
local terms energy: -72.499391
where:
bonds (distance) C4'-P energy: -20.912
bonds (distance) P-C4' energy: -19.746
flat angles C4'-P-C4' energy: -16.479
flat angles P-C4'-P energy: -3.158
tors. eta vs tors. theta energy: -12.204
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 38
Temperature: 1.300000
Total energy: -109.457855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.457855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.457855 (E_RNA)
where:
Base-Base interactions energy: -47.141
where: short stacking energy: -28.777
Base-Backbone interact. energy: -0.175
local terms energy: -62.142508
where:
bonds (distance) C4'-P energy: -19.389
bonds (distance) P-C4' energy: -20.865
flat angles C4'-P-C4' energy: -15.160
flat angles P-C4'-P energy: -4.324
tors. eta vs tors. theta energy: -2.403
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 38
Temperature: 1.350000
Total energy: -112.254662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.254662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.254662 (E_RNA)
where:
Base-Base interactions energy: -44.599
where: short stacking energy: -44.599
Base-Backbone interact. energy: -0.037
local terms energy: -67.618381
where:
bonds (distance) C4'-P energy: -12.517
bonds (distance) P-C4' energy: -19.957
flat angles C4'-P-C4' energy: -11.655
flat angles P-C4'-P energy: -11.101
tors. eta vs tors. theta energy: -12.388
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 39
Temperature: 0.900000
Total energy: -327.860845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.860845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.860845 (E_RNA)
where:
Base-Base interactions energy: -234.313
where: short stacking energy: -89.704
Base-Backbone interact. energy: -0.207
local terms energy: -93.341318
where:
bonds (distance) C4'-P energy: -16.048
bonds (distance) P-C4' energy: -20.576
flat angles C4'-P-C4' energy: -21.118
flat angles P-C4'-P energy: -16.873
tors. eta vs tors. theta energy: -18.726
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 39
Temperature: 0.950000
Total energy: -282.712351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.712351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.712351 (E_RNA)
where:
Base-Base interactions energy: -197.610
where: short stacking energy: -77.373
Base-Backbone interact. energy: -0.854
local terms energy: -84.249061
where:
bonds (distance) C4'-P energy: -12.628
bonds (distance) P-C4' energy: -16.850
flat angles C4'-P-C4' energy: -22.599
flat angles P-C4'-P energy: -16.066
tors. eta vs tors. theta energy: -16.106
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 39
Temperature: 1.000000
Total energy: -315.083521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.083521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.083521 (E_RNA)
where:
Base-Base interactions energy: -212.134
where: short stacking energy: -101.220
Base-Backbone interact. energy: -1.045
local terms energy: -101.904030
where:
bonds (distance) C4'-P energy: -19.059
bonds (distance) P-C4' energy: -18.037
flat angles C4'-P-C4' energy: -21.963
flat angles P-C4'-P energy: -15.112
tors. eta vs tors. theta energy: -27.734
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 39
Temperature: 1.050000
Total energy: -291.081779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.081779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.081779 (E_RNA)
where:
Base-Base interactions energy: -192.035
where: short stacking energy: -84.199
Base-Backbone interact. energy: -0.985
local terms energy: -98.061754
where:
bonds (distance) C4'-P energy: -14.868
bonds (distance) P-C4' energy: -20.182
flat angles C4'-P-C4' energy: -19.978
flat angles P-C4'-P energy: -16.858
tors. eta vs tors. theta energy: -26.175
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 39
Temperature: 1.100000
Total energy: -239.510479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.510479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.510479 (E_RNA)
where:
Base-Base interactions energy: -161.716
where: short stacking energy: -70.362
Base-Backbone interact. energy: -0.479
local terms energy: -77.315429
where:
bonds (distance) C4'-P energy: -19.984
bonds (distance) P-C4' energy: -17.014
flat angles C4'-P-C4' energy: -16.450
flat angles P-C4'-P energy: -8.872
tors. eta vs tors. theta energy: -14.996
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 39
Temperature: 1.150000
Total energy: -193.499947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.499947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.499947 (E_RNA)
where:
Base-Base interactions energy: -106.853
where: short stacking energy: -58.949
Base-Backbone interact. energy: -0.087
local terms energy: -86.559865
where:
bonds (distance) C4'-P energy: -19.684
bonds (distance) P-C4' energy: -20.535
flat angles C4'-P-C4' energy: -17.447
flat angles P-C4'-P energy: -12.001
tors. eta vs tors. theta energy: -16.893
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 39
Temperature: 1.200000
Total energy: -131.680928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.680928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.680928 (E_RNA)
where:
Base-Base interactions energy: -60.547
where: short stacking energy: -60.547
Base-Backbone interact. energy: -0.294
local terms energy: -70.840194
where:
bonds (distance) C4'-P energy: -15.099
bonds (distance) P-C4' energy: -17.966
flat angles C4'-P-C4' energy: -21.158
flat angles P-C4'-P energy: -9.137
tors. eta vs tors. theta energy: -7.480
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 39
Temperature: 1.250000
Total energy: -114.343443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.343443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.343443 (E_RNA)
where:
Base-Base interactions energy: -52.296
where: short stacking energy: -50.983
Base-Backbone interact. energy: -0.652
local terms energy: -61.395822
where:
bonds (distance) C4'-P energy: -13.333
bonds (distance) P-C4' energy: -15.060
flat angles C4'-P-C4' energy: -18.110
flat angles P-C4'-P energy: -9.424
tors. eta vs tors. theta energy: -5.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 39
Temperature: 1.300000
Total energy: -124.421256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.421256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.421256 (E_RNA)
where:
Base-Base interactions energy: -54.275
where: short stacking energy: -54.275
Base-Backbone interact. energy: 0.344
local terms energy: -70.489956
where:
bonds (distance) C4'-P energy: -18.690
bonds (distance) P-C4' energy: -15.231
flat angles C4'-P-C4' energy: -16.081
flat angles P-C4'-P energy: -9.870
tors. eta vs tors. theta energy: -10.618
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 39
Temperature: 1.350000
Total energy: -104.718925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.718925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.718925 (E_RNA)
where:
Base-Base interactions energy: -34.955
where: short stacking energy: -28.426
Base-Backbone interact. energy: -0.188
local terms energy: -69.576363
where:
bonds (distance) C4'-P energy: -15.509
bonds (distance) P-C4' energy: -19.253
flat angles C4'-P-C4' energy: -21.349
flat angles P-C4'-P energy: -10.455
tors. eta vs tors. theta energy: -3.010
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 40
Temperature: 0.900000
Total energy: -329.221058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.221058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.221058 (E_RNA)
where:
Base-Base interactions energy: -233.280
where: short stacking energy: -89.825
Base-Backbone interact. energy: -0.125
local terms energy: -95.816142
where:
bonds (distance) C4'-P energy: -21.203
bonds (distance) P-C4' energy: -19.253
flat angles C4'-P-C4' energy: -18.186
flat angles P-C4'-P energy: -16.278
tors. eta vs tors. theta energy: -20.897
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 40
Temperature: 0.950000
Total energy: -288.946217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.946217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.946217 (E_RNA)
where:
Base-Base interactions energy: -199.932
where: short stacking energy: -83.634
Base-Backbone interact. energy: -0.523
local terms energy: -88.491450
where:
bonds (distance) C4'-P energy: -22.078
bonds (distance) P-C4' energy: -20.060
flat angles C4'-P-C4' energy: -18.427
flat angles P-C4'-P energy: -9.670
tors. eta vs tors. theta energy: -18.256
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 40
Temperature: 1.000000
Total energy: -304.997345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.997345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.997345 (E_RNA)
where:
Base-Base interactions energy: -198.802
where: short stacking energy: -89.321
Base-Backbone interact. energy: -0.261
local terms energy: -105.933681
where:
bonds (distance) C4'-P energy: -17.961
bonds (distance) P-C4' energy: -22.201
flat angles C4'-P-C4' energy: -23.221
flat angles P-C4'-P energy: -16.054
tors. eta vs tors. theta energy: -26.498
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 40
Temperature: 1.050000
Total energy: -281.598524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.598524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.598524 (E_RNA)
where:
Base-Base interactions energy: -191.345
where: short stacking energy: -90.221
Base-Backbone interact. energy: -0.572
local terms energy: -89.681639
where:
bonds (distance) C4'-P energy: -16.511
bonds (distance) P-C4' energy: -13.036
flat angles C4'-P-C4' energy: -19.475
flat angles P-C4'-P energy: -15.552
tors. eta vs tors. theta energy: -25.107
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 40
Temperature: 1.100000
Total energy: -209.475538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.475538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.475538 (E_RNA)
where:
Base-Base interactions energy: -124.636
where: short stacking energy: -71.330
Base-Backbone interact. energy: -0.751
local terms energy: -84.088794
where:
bonds (distance) C4'-P energy: -18.652
bonds (distance) P-C4' energy: -20.447
flat angles C4'-P-C4' energy: -19.624
flat angles P-C4'-P energy: -11.657
tors. eta vs tors. theta energy: -13.709
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 40
Temperature: 1.150000
Total energy: -206.416796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.416796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.416796 (E_RNA)
where:
Base-Base interactions energy: -142.053
where: short stacking energy: -64.200
Base-Backbone interact. energy: -0.039
local terms energy: -64.324616
where:
bonds (distance) C4'-P energy: -13.372
bonds (distance) P-C4' energy: -17.968
flat angles C4'-P-C4' energy: -17.155
flat angles P-C4'-P energy: -7.019
tors. eta vs tors. theta energy: -8.811
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 40
Temperature: 1.200000
Total energy: -132.965793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.965793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.965793 (E_RNA)
where:
Base-Base interactions energy: -65.155
where: short stacking energy: -65.155
Base-Backbone interact. energy: -0.182
local terms energy: -67.628554
where:
bonds (distance) C4'-P energy: -17.829
bonds (distance) P-C4' energy: -17.346
flat angles C4'-P-C4' energy: -11.786
flat angles P-C4'-P energy: -8.955
tors. eta vs tors. theta energy: -11.713
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 40
Temperature: 1.250000
Total energy: -110.449697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.449697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.449697 (E_RNA)
where:
Base-Base interactions energy: -38.579
where: short stacking energy: -31.711
Base-Backbone interact. energy: -0.316
local terms energy: -71.554553
where:
bonds (distance) C4'-P energy: -16.152
bonds (distance) P-C4' energy: -20.356
flat angles C4'-P-C4' energy: -18.881
flat angles P-C4'-P energy: -11.586
tors. eta vs tors. theta energy: -4.579
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 40
Temperature: 1.300000
Total energy: -108.450172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.450172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.450172 (E_RNA)
where:
Base-Base interactions energy: -53.519
where: short stacking energy: -36.990
Base-Backbone interact. energy: -0.257
local terms energy: -54.674742
where:
bonds (distance) C4'-P energy: -13.358
bonds (distance) P-C4' energy: -20.014
flat angles C4'-P-C4' energy: -9.585
flat angles P-C4'-P energy: -7.361
tors. eta vs tors. theta energy: -4.357
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 40
Temperature: 1.350000
Total energy: -106.490690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.490690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.490690 (E_RNA)
where:
Base-Base interactions energy: -50.038
where: short stacking energy: -36.877
Base-Backbone interact. energy: -0.240
local terms energy: -56.212137
where:
bonds (distance) C4'-P energy: -12.745
bonds (distance) P-C4' energy: -19.173
flat angles C4'-P-C4' energy: -16.766
flat angles P-C4'-P energy: -4.178
tors. eta vs tors. theta energy: -3.351
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 41
Temperature: 0.900000
Total energy: -326.741617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.741617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.741617 (E_RNA)
where:
Base-Base interactions energy: -237.916
where: short stacking energy: -84.713
Base-Backbone interact. energy: -1.129
local terms energy: -87.696045
where:
bonds (distance) C4'-P energy: -18.060
bonds (distance) P-C4' energy: -18.198
flat angles C4'-P-C4' energy: -17.854
flat angles P-C4'-P energy: -15.868
tors. eta vs tors. theta energy: -17.715
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 41
Temperature: 0.950000
Total energy: -304.426324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.426324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.426324 (E_RNA)
where:
Base-Base interactions energy: -215.889
where: short stacking energy: -100.906
Base-Backbone interact. energy: -0.365
local terms energy: -88.172588
where:
bonds (distance) C4'-P energy: -16.367
bonds (distance) P-C4' energy: -17.857
flat angles C4'-P-C4' energy: -18.027
flat angles P-C4'-P energy: -15.416
tors. eta vs tors. theta energy: -20.506
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 41
Temperature: 1.000000
Total energy: -283.838857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.838857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.838857 (E_RNA)
where:
Base-Base interactions energy: -201.076
where: short stacking energy: -82.100
Base-Backbone interact. energy: -0.706
local terms energy: -82.056975
where:
bonds (distance) C4'-P energy: -15.908
bonds (distance) P-C4' energy: -17.650
flat angles C4'-P-C4' energy: -15.348
flat angles P-C4'-P energy: -12.799
tors. eta vs tors. theta energy: -20.352
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 41
Temperature: 1.050000
Total energy: -271.718844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.718844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.718844 (E_RNA)
where:
Base-Base interactions energy: -183.342
where: short stacking energy: -82.333
Base-Backbone interact. energy: -1.041
local terms energy: -87.336470
where:
bonds (distance) C4'-P energy: -20.168
bonds (distance) P-C4' energy: -15.973
flat angles C4'-P-C4' energy: -18.857
flat angles P-C4'-P energy: -12.662
tors. eta vs tors. theta energy: -19.677
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 41
Temperature: 1.100000
Total energy: -211.684754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.684754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.684754 (E_RNA)
where:
Base-Base interactions energy: -129.625
where: short stacking energy: -57.317
Base-Backbone interact. energy: -0.161
local terms energy: -81.898214
where:
bonds (distance) C4'-P energy: -15.663
bonds (distance) P-C4' energy: -22.789
flat angles C4'-P-C4' energy: -20.733
flat angles P-C4'-P energy: -8.108
tors. eta vs tors. theta energy: -14.605
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 41
Temperature: 1.150000
Total energy: -218.047087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.047087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.047087 (E_RNA)
where:
Base-Base interactions energy: -141.130
where: short stacking energy: -65.490
Base-Backbone interact. energy: -0.519
local terms energy: -76.398494
where:
bonds (distance) C4'-P energy: -16.048
bonds (distance) P-C4' energy: -16.244
flat angles C4'-P-C4' energy: -16.540
flat angles P-C4'-P energy: -10.506
tors. eta vs tors. theta energy: -17.061
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 41
Temperature: 1.200000
Total energy: -136.347261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.347261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.347261 (E_RNA)
where:
Base-Base interactions energy: -65.570
where: short stacking energy: -51.124
Base-Backbone interact. energy: -1.019
local terms energy: -69.757933
where:
bonds (distance) C4'-P energy: -19.943
bonds (distance) P-C4' energy: -18.924
flat angles C4'-P-C4' energy: -15.499
flat angles P-C4'-P energy: -7.983
tors. eta vs tors. theta energy: -7.409
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 41
Temperature: 1.250000
Total energy: -118.011188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.011188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.011188 (E_RNA)
where:
Base-Base interactions energy: -45.332
where: short stacking energy: -38.198
Base-Backbone interact. energy: -0.058
local terms energy: -72.621857
where:
bonds (distance) C4'-P energy: -17.505
bonds (distance) P-C4' energy: -14.303
flat angles C4'-P-C4' energy: -20.641
flat angles P-C4'-P energy: -12.195
tors. eta vs tors. theta energy: -7.978
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 41
Temperature: 1.300000
Total energy: -105.285968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.285968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.285968 (E_RNA)
where:
Base-Base interactions energy: -50.814
where: short stacking energy: -48.563
Base-Backbone interact. energy: -0.054
local terms energy: -54.417857
where:
bonds (distance) C4'-P energy: -21.185
bonds (distance) P-C4' energy: -18.943
flat angles C4'-P-C4' energy: -8.814
flat angles P-C4'-P energy: 0.238
tors. eta vs tors. theta energy: -5.714
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 41
Temperature: 1.350000
Total energy: -114.285725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.285725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.285725 (E_RNA)
where:
Base-Base interactions energy: -52.292
where: short stacking energy: -51.575
Base-Backbone interact. energy: 0.059
local terms energy: -62.052102
where:
bonds (distance) C4'-P energy: -16.110
bonds (distance) P-C4' energy: -20.198
flat angles C4'-P-C4' energy: -14.742
flat angles P-C4'-P energy: -3.748
tors. eta vs tors. theta energy: -7.254
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 42
Temperature: 0.900000
Total energy: -329.945173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.945173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.945173 (E_RNA)
where:
Base-Base interactions energy: -235.769
where: short stacking energy: -90.664
Base-Backbone interact. energy: -0.608
local terms energy: -93.568465
where:
bonds (distance) C4'-P energy: -20.124
bonds (distance) P-C4' energy: -18.222
flat angles C4'-P-C4' energy: -21.689
flat angles P-C4'-P energy: -14.432
tors. eta vs tors. theta energy: -19.101
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 42
Temperature: 0.950000
Total energy: -296.596496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.596496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.596496 (E_RNA)
where:
Base-Base interactions energy: -194.472
where: short stacking energy: -84.952
Base-Backbone interact. energy: -0.199
local terms energy: -101.925566
where:
bonds (distance) C4'-P energy: -18.447
bonds (distance) P-C4' energy: -23.173
flat angles C4'-P-C4' energy: -23.323
flat angles P-C4'-P energy: -15.066
tors. eta vs tors. theta energy: -21.917
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 42
Temperature: 1.000000
Total energy: -281.192262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.192262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.192262 (E_RNA)
where:
Base-Base interactions energy: -197.495
where: short stacking energy: -81.648
Base-Backbone interact. energy: -0.367
local terms energy: -83.329994
where:
bonds (distance) C4'-P energy: -15.253
bonds (distance) P-C4' energy: -21.592
flat angles C4'-P-C4' energy: -15.585
flat angles P-C4'-P energy: -10.981
tors. eta vs tors. theta energy: -19.919
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 42
Temperature: 1.050000
Total energy: -278.803350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.803350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.803350 (E_RNA)
where:
Base-Base interactions energy: -185.759
where: short stacking energy: -87.870
Base-Backbone interact. energy: -0.073
local terms energy: -92.970914
where:
bonds (distance) C4'-P energy: -16.107
bonds (distance) P-C4' energy: -22.377
flat angles C4'-P-C4' energy: -19.486
flat angles P-C4'-P energy: -11.050
tors. eta vs tors. theta energy: -23.951
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 42
Temperature: 1.100000
Total energy: -214.149870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.149870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.149870 (E_RNA)
where:
Base-Base interactions energy: -128.965
where: short stacking energy: -71.946
Base-Backbone interact. energy: -0.074
local terms energy: -85.110784
where:
bonds (distance) C4'-P energy: -21.576
bonds (distance) P-C4' energy: -16.126
flat angles C4'-P-C4' energy: -22.527
flat angles P-C4'-P energy: -11.417
tors. eta vs tors. theta energy: -13.466
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 42
Temperature: 1.150000
Total energy: -238.480986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.480986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.480986 (E_RNA)
where:
Base-Base interactions energy: -167.211
where: short stacking energy: -66.669
Base-Backbone interact. energy: -0.096
local terms energy: -71.174098
where:
bonds (distance) C4'-P energy: -21.542
bonds (distance) P-C4' energy: -10.692
flat angles C4'-P-C4' energy: -20.521
flat angles P-C4'-P energy: -9.689
tors. eta vs tors. theta energy: -8.730
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 42
Temperature: 1.200000
Total energy: -122.205522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.205522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.205522 (E_RNA)
where:
Base-Base interactions energy: -51.777
where: short stacking energy: -41.138
Base-Backbone interact. energy: 0.199
local terms energy: -70.628278
where:
bonds (distance) C4'-P energy: -15.485
bonds (distance) P-C4' energy: -19.935
flat angles C4'-P-C4' energy: -18.246
flat angles P-C4'-P energy: -9.345
tors. eta vs tors. theta energy: -7.618
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 42
Temperature: 1.250000
Total energy: -126.859995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.859995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.859995 (E_RNA)
where:
Base-Base interactions energy: -59.319
where: short stacking energy: -52.419
Base-Backbone interact. energy: -0.138
local terms energy: -67.402990
where:
bonds (distance) C4'-P energy: -15.246
bonds (distance) P-C4' energy: -19.342
flat angles C4'-P-C4' energy: -15.757
flat angles P-C4'-P energy: -11.183
tors. eta vs tors. theta energy: -5.876
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 42
Temperature: 1.300000
Total energy: -162.215679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.215679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.215679 (E_RNA)
where:
Base-Base interactions energy: -88.400
where: short stacking energy: -59.186
Base-Backbone interact. energy: -0.071
local terms energy: -73.745197
where:
bonds (distance) C4'-P energy: -17.948
bonds (distance) P-C4' energy: -19.468
flat angles C4'-P-C4' energy: -14.562
flat angles P-C4'-P energy: -12.497
tors. eta vs tors. theta energy: -9.271
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 42
Temperature: 1.350000
Total energy: -98.093961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.093961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.093961 (E_RNA)
where:
Base-Base interactions energy: -41.610
where: short stacking energy: -21.494
Base-Backbone interact. energy: -1.289
local terms energy: -55.195189
where:
bonds (distance) C4'-P energy: -13.737
bonds (distance) P-C4' energy: -18.746
flat angles C4'-P-C4' energy: -15.713
flat angles P-C4'-P energy: -6.038
tors. eta vs tors. theta energy: -0.960
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 43
Temperature: 0.900000
Total energy: -331.492434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.492434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.492434 (E_RNA)
where:
Base-Base interactions energy: -238.468
where: short stacking energy: -101.032
Base-Backbone interact. energy: -0.725
local terms energy: -92.299366
where:
bonds (distance) C4'-P energy: -19.575
bonds (distance) P-C4' energy: -20.766
flat angles C4'-P-C4' energy: -16.926
flat angles P-C4'-P energy: -11.367
tors. eta vs tors. theta energy: -23.665
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 43
Temperature: 0.950000
Total energy: -290.191681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.191681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.191681 (E_RNA)
where:
Base-Base interactions energy: -193.103
where: short stacking energy: -95.075
Base-Backbone interact. energy: -0.350
local terms energy: -96.739323
where:
bonds (distance) C4'-P energy: -20.731
bonds (distance) P-C4' energy: -17.543
flat angles C4'-P-C4' energy: -17.460
flat angles P-C4'-P energy: -16.470
tors. eta vs tors. theta energy: -24.536
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 43
Temperature: 1.000000
Total energy: -299.329612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.329612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.329612 (E_RNA)
where:
Base-Base interactions energy: -203.867
where: short stacking energy: -103.961
Base-Backbone interact. energy: -0.373
local terms energy: -95.089744
where:
bonds (distance) C4'-P energy: -18.101
bonds (distance) P-C4' energy: -16.146
flat angles C4'-P-C4' energy: -19.911
flat angles P-C4'-P energy: -14.061
tors. eta vs tors. theta energy: -26.870
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 43
Temperature: 1.050000
Total energy: -271.536740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.536740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.536740 (E_RNA)
where:
Base-Base interactions energy: -179.503
where: short stacking energy: -88.561
Base-Backbone interact. energy: 0.275
local terms energy: -92.308555
where:
bonds (distance) C4'-P energy: -18.058
bonds (distance) P-C4' energy: -20.363
flat angles C4'-P-C4' energy: -17.422
flat angles P-C4'-P energy: -11.593
tors. eta vs tors. theta energy: -24.872
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 43
Temperature: 1.100000
Total energy: -238.246605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.246605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.246605 (E_RNA)
where:
Base-Base interactions energy: -159.616
where: short stacking energy: -78.896
Base-Backbone interact. energy: -0.350
local terms energy: -78.280180
where:
bonds (distance) C4'-P energy: -13.569
bonds (distance) P-C4' energy: -19.557
flat angles C4'-P-C4' energy: -18.652
flat angles P-C4'-P energy: -6.649
tors. eta vs tors. theta energy: -19.853
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 43
Temperature: 1.150000
Total energy: -217.935706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.935706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.935706 (E_RNA)
where:
Base-Base interactions energy: -143.765
where: short stacking energy: -72.247
Base-Backbone interact. energy: 1.523
local terms energy: -75.693798
where:
bonds (distance) C4'-P energy: -18.502
bonds (distance) P-C4' energy: -14.547
flat angles C4'-P-C4' energy: -23.990
flat angles P-C4'-P energy: -5.327
tors. eta vs tors. theta energy: -13.327
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 43
Temperature: 1.200000
Total energy: -125.668084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.668084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.668084 (E_RNA)
where:
Base-Base interactions energy: -59.413
where: short stacking energy: -29.051
Base-Backbone interact. energy: 1.038
local terms energy: -67.292725
where:
bonds (distance) C4'-P energy: -19.094
bonds (distance) P-C4' energy: -22.140
flat angles C4'-P-C4' energy: -16.023
flat angles P-C4'-P energy: -11.492
tors. eta vs tors. theta energy: 1.457
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 43
Temperature: 1.250000
Total energy: -208.828314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.828314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.828314 (E_RNA)
where:
Base-Base interactions energy: -135.496
where: short stacking energy: -62.119
Base-Backbone interact. energy: -0.116
local terms energy: -73.216641
where:
bonds (distance) C4'-P energy: -14.458
bonds (distance) P-C4' energy: -19.776
flat angles C4'-P-C4' energy: -11.039
flat angles P-C4'-P energy: -9.947
tors. eta vs tors. theta energy: -17.997
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 43
Temperature: 1.300000
Total energy: -96.968629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.968629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.968629 (E_RNA)
where:
Base-Base interactions energy: -38.918
where: short stacking energy: -30.478
Base-Backbone interact. energy: -0.238
local terms energy: -57.812699
where:
bonds (distance) C4'-P energy: -13.993
bonds (distance) P-C4' energy: -18.827
flat angles C4'-P-C4' energy: -11.872
flat angles P-C4'-P energy: -11.317
tors. eta vs tors. theta energy: -1.805
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 43
Temperature: 1.350000
Total energy: -100.174215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.174215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.174215 (E_RNA)
where:
Base-Base interactions energy: -36.877
where: short stacking energy: -36.877
Base-Backbone interact. energy: -1.708
local terms energy: -61.589106
where:
bonds (distance) C4'-P energy: -14.794
bonds (distance) P-C4' energy: -12.772
flat angles C4'-P-C4' energy: -17.113
flat angles P-C4'-P energy: -11.119
tors. eta vs tors. theta energy: -5.790
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 44
Temperature: 0.900000
Total energy: -331.734943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.734943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.734943 (E_RNA)
where:
Base-Base interactions energy: -244.798
where: short stacking energy: -102.469
Base-Backbone interact. energy: -0.212
local terms energy: -86.724634
where:
bonds (distance) C4'-P energy: -16.335
bonds (distance) P-C4' energy: -21.126
flat angles C4'-P-C4' energy: -17.803
flat angles P-C4'-P energy: -10.503
tors. eta vs tors. theta energy: -20.957
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 44
Temperature: 0.950000
Total energy: -281.047807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.047807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.047807 (E_RNA)
where:
Base-Base interactions energy: -184.624
where: short stacking energy: -91.735
Base-Backbone interact. energy: -0.303
local terms energy: -96.121436
where:
bonds (distance) C4'-P energy: -17.864
bonds (distance) P-C4' energy: -19.302
flat angles C4'-P-C4' energy: -22.513
flat angles P-C4'-P energy: -14.667
tors. eta vs tors. theta energy: -21.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 44
Temperature: 1.000000
Total energy: -303.211258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.211258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.211258 (E_RNA)
where:
Base-Base interactions energy: -209.474
where: short stacking energy: -99.550
Base-Backbone interact. energy: -0.250
local terms energy: -93.487448
where:
bonds (distance) C4'-P energy: -16.622
bonds (distance) P-C4' energy: -18.688
flat angles C4'-P-C4' energy: -23.498
flat angles P-C4'-P energy: -8.136
tors. eta vs tors. theta energy: -26.543
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 44
Temperature: 1.050000
Total energy: -274.410627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.410627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.410627 (E_RNA)
where:
Base-Base interactions energy: -195.009
where: short stacking energy: -89.239
Base-Backbone interact. energy: 0.658
local terms energy: -80.058747
where:
bonds (distance) C4'-P energy: -10.875
bonds (distance) P-C4' energy: -15.890
flat angles C4'-P-C4' energy: -20.482
flat angles P-C4'-P energy: -7.165
tors. eta vs tors. theta energy: -25.647
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 44
Temperature: 1.100000
Total energy: -223.131457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.131457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.131457 (E_RNA)
where:
Base-Base interactions energy: -146.570
where: short stacking energy: -61.716
Base-Backbone interact. energy: -0.673
local terms energy: -75.888749
where:
bonds (distance) C4'-P energy: -13.637
bonds (distance) P-C4' energy: -21.204
flat angles C4'-P-C4' energy: -19.197
flat angles P-C4'-P energy: -10.177
tors. eta vs tors. theta energy: -11.673
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 44
Temperature: 1.150000
Total energy: -219.980065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.980065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.980065 (E_RNA)
where:
Base-Base interactions energy: -148.353
where: short stacking energy: -74.256
Base-Backbone interact. energy: 2.445
local terms energy: -74.072487
where:
bonds (distance) C4'-P energy: -19.525
bonds (distance) P-C4' energy: -16.996
flat angles C4'-P-C4' energy: -13.697
flat angles P-C4'-P energy: -5.489
tors. eta vs tors. theta energy: -18.366
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 44
Temperature: 1.200000
Total energy: -231.288609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.288609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.288609 (E_RNA)
where:
Base-Base interactions energy: -144.342
where: short stacking energy: -67.564
Base-Backbone interact. energy: -0.026
local terms energy: -86.919771
where:
bonds (distance) C4'-P energy: -17.911
bonds (distance) P-C4' energy: -21.715
flat angles C4'-P-C4' energy: -17.249
flat angles P-C4'-P energy: -11.111
tors. eta vs tors. theta energy: -18.934
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 44
Temperature: 1.250000
Total energy: -112.784075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.784075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.784075 (E_RNA)
where:
Base-Base interactions energy: -45.689
where: short stacking energy: -37.866
Base-Backbone interact. energy: 2.935
local terms energy: -70.029351
where:
bonds (distance) C4'-P energy: -10.317
bonds (distance) P-C4' energy: -23.685
flat angles C4'-P-C4' energy: -19.212
flat angles P-C4'-P energy: -9.555
tors. eta vs tors. theta energy: -7.260
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 44
Temperature: 1.300000
Total energy: -109.837632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.837632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.837632 (E_RNA)
where:
Base-Base interactions energy: -47.842
where: short stacking energy: -45.570
Base-Backbone interact. energy: -0.013
local terms energy: -61.982782
where:
bonds (distance) C4'-P energy: -12.965
bonds (distance) P-C4' energy: -20.887
flat angles C4'-P-C4' energy: -12.098
flat angles P-C4'-P energy: -11.227
tors. eta vs tors. theta energy: -4.806
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 44
Temperature: 1.350000
Total energy: -95.606969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.606969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.606969 (E_RNA)
where:
Base-Base interactions energy: -31.513
where: short stacking energy: -27.258
Base-Backbone interact. energy: 0.237
local terms energy: -64.330527
where:
bonds (distance) C4'-P energy: -11.792
bonds (distance) P-C4' energy: -20.541
flat angles C4'-P-C4' energy: -14.750
flat angles P-C4'-P energy: -10.605
tors. eta vs tors. theta energy: -6.642
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 45
Temperature: 0.900000
Total energy: -333.766596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.766596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.766596 (E_RNA)
where:
Base-Base interactions energy: -239.058
where: short stacking energy: -89.397
Base-Backbone interact. energy: -0.231
local terms energy: -94.477102
where:
bonds (distance) C4'-P energy: -22.092
bonds (distance) P-C4' energy: -20.038
flat angles C4'-P-C4' energy: -18.957
flat angles P-C4'-P energy: -11.263
tors. eta vs tors. theta energy: -22.128
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 45
Temperature: 0.950000
Total energy: -276.109029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.109029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.109029 (E_RNA)
where:
Base-Base interactions energy: -180.113
where: short stacking energy: -84.881
Base-Backbone interact. energy: -0.586
local terms energy: -95.410163
where:
bonds (distance) C4'-P energy: -15.767
bonds (distance) P-C4' energy: -22.377
flat angles C4'-P-C4' energy: -22.391
flat angles P-C4'-P energy: -12.738
tors. eta vs tors. theta energy: -22.137
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 45
Temperature: 1.000000
Total energy: -287.329602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.329602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.329602 (E_RNA)
where:
Base-Base interactions energy: -199.437
where: short stacking energy: -96.342
Base-Backbone interact. energy: -0.852
local terms energy: -87.040914
where:
bonds (distance) C4'-P energy: -16.641
bonds (distance) P-C4' energy: -16.196
flat angles C4'-P-C4' energy: -19.902
flat angles P-C4'-P energy: -9.931
tors. eta vs tors. theta energy: -24.371
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 45
Temperature: 1.050000
Total energy: -292.752498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.752498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.752498 (E_RNA)
where:
Base-Base interactions energy: -195.727
where: short stacking energy: -87.533
Base-Backbone interact. energy: -1.175
local terms energy: -95.850858
where:
bonds (distance) C4'-P energy: -19.353
bonds (distance) P-C4' energy: -19.380
flat angles C4'-P-C4' energy: -20.417
flat angles P-C4'-P energy: -9.942
tors. eta vs tors. theta energy: -26.759
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 45
Temperature: 1.100000
Total energy: -238.307723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.307723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.307723 (E_RNA)
where:
Base-Base interactions energy: -154.478
where: short stacking energy: -71.978
Base-Backbone interact. energy: -0.136
local terms energy: -83.694302
where:
bonds (distance) C4'-P energy: -17.206
bonds (distance) P-C4' energy: -19.362
flat angles C4'-P-C4' energy: -16.213
flat angles P-C4'-P energy: -15.794
tors. eta vs tors. theta energy: -15.118
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 45
Temperature: 1.150000
Total energy: -242.132589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.132589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.132589 (E_RNA)
where:
Base-Base interactions energy: -161.078
where: short stacking energy: -76.956
Base-Backbone interact. energy: -0.413
local terms energy: -80.642019
where:
bonds (distance) C4'-P energy: -10.188
bonds (distance) P-C4' energy: -18.803
flat angles C4'-P-C4' energy: -17.835
flat angles P-C4'-P energy: -11.305
tors. eta vs tors. theta energy: -22.512
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 45
Temperature: 1.200000
Total energy: -220.908681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.908681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.908681 (E_RNA)
where:
Base-Base interactions energy: -144.183
where: short stacking energy: -78.458
Base-Backbone interact. energy: 3.873
local terms energy: -80.599009
where:
bonds (distance) C4'-P energy: -16.552
bonds (distance) P-C4' energy: -18.157
flat angles C4'-P-C4' energy: -17.181
flat angles P-C4'-P energy: -13.441
tors. eta vs tors. theta energy: -15.267
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 45
Temperature: 1.250000
Total energy: -113.966778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.966778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.966778 (E_RNA)
where:
Base-Base interactions energy: -48.599
where: short stacking energy: -48.599
Base-Backbone interact. energy: -0.188
local terms energy: -65.180638
where:
bonds (distance) C4'-P energy: -17.545
bonds (distance) P-C4' energy: -15.334
flat angles C4'-P-C4' energy: -13.723
flat angles P-C4'-P energy: -7.481
tors. eta vs tors. theta energy: -11.098
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 45
Temperature: 1.300000
Total energy: -109.940059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.940059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.940059 (E_RNA)
where:
Base-Base interactions energy: -50.889
where: short stacking energy: -42.059
Base-Backbone interact. energy: -0.210
local terms energy: -58.841382
where:
bonds (distance) C4'-P energy: -16.044
bonds (distance) P-C4' energy: -16.096
flat angles C4'-P-C4' energy: -17.157
flat angles P-C4'-P energy: -0.845
tors. eta vs tors. theta energy: -8.699
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 45
Temperature: 1.350000
Total energy: -114.797066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.797066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.797066 (E_RNA)
where:
Base-Base interactions energy: -51.615
where: short stacking energy: -48.241
Base-Backbone interact. energy: 0.570
local terms energy: -63.752290
where:
bonds (distance) C4'-P energy: -11.923
bonds (distance) P-C4' energy: -19.940
flat angles C4'-P-C4' energy: -15.242
flat angles P-C4'-P energy: -12.620
tors. eta vs tors. theta energy: -4.027
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 46
Temperature: 0.900000
Total energy: -330.698323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.698323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.698323 (E_RNA)
where:
Base-Base interactions energy: -235.199
where: short stacking energy: -91.447
Base-Backbone interact. energy: -0.124
local terms energy: -95.375141
where:
bonds (distance) C4'-P energy: -15.066
bonds (distance) P-C4' energy: -20.385
flat angles C4'-P-C4' energy: -19.988
flat angles P-C4'-P energy: -16.973
tors. eta vs tors. theta energy: -22.963
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 46
Temperature: 0.950000
Total energy: -279.204910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.204910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.204910 (E_RNA)
where:
Base-Base interactions energy: -183.401
where: short stacking energy: -83.550
Base-Backbone interact. energy: -0.244
local terms energy: -95.560359
where:
bonds (distance) C4'-P energy: -20.582
bonds (distance) P-C4' energy: -18.428
flat angles C4'-P-C4' energy: -22.089
flat angles P-C4'-P energy: -14.335
tors. eta vs tors. theta energy: -20.126
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 46
Temperature: 1.000000
Total energy: -288.048009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.048009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.048009 (E_RNA)
where:
Base-Base interactions energy: -205.981
where: short stacking energy: -92.805
Base-Backbone interact. energy: -0.830
local terms energy: -81.236961
where:
bonds (distance) C4'-P energy: -12.761
bonds (distance) P-C4' energy: -17.436
flat angles C4'-P-C4' energy: -18.503
flat angles P-C4'-P energy: -6.303
tors. eta vs tors. theta energy: -26.234
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 46
Temperature: 1.050000
Total energy: -283.521688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.521688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.521688 (E_RNA)
where:
Base-Base interactions energy: -193.944
where: short stacking energy: -75.123
Base-Backbone interact. energy: 0.449
local terms energy: -90.025935
where:
bonds (distance) C4'-P energy: -17.394
bonds (distance) P-C4' energy: -19.523
flat angles C4'-P-C4' energy: -22.266
flat angles P-C4'-P energy: -10.681
tors. eta vs tors. theta energy: -20.163
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 46
Temperature: 1.100000
Total energy: -253.902139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.902139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.902139 (E_RNA)
where:
Base-Base interactions energy: -167.962
where: short stacking energy: -77.154
Base-Backbone interact. energy: -0.874
local terms energy: -85.066346
where:
bonds (distance) C4'-P energy: -15.551
bonds (distance) P-C4' energy: -21.666
flat angles C4'-P-C4' energy: -17.663
flat angles P-C4'-P energy: -12.503
tors. eta vs tors. theta energy: -17.684
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 46
Temperature: 1.150000
Total energy: -255.653557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.653557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.653557 (E_RNA)
where:
Base-Base interactions energy: -160.768
where: short stacking energy: -86.603
Base-Backbone interact. energy: -0.067
local terms energy: -94.818812
where:
bonds (distance) C4'-P energy: -18.008
bonds (distance) P-C4' energy: -21.133
flat angles C4'-P-C4' energy: -18.811
flat angles P-C4'-P energy: -12.122
tors. eta vs tors. theta energy: -24.744
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 46
Temperature: 1.200000
Total energy: -129.190546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.190546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.190546 (E_RNA)
where:
Base-Base interactions energy: -72.586
where: short stacking energy: -39.431
Base-Backbone interact. energy: -0.278
local terms energy: -56.326700
where:
bonds (distance) C4'-P energy: -22.915
bonds (distance) P-C4' energy: -16.146
flat angles C4'-P-C4' energy: -11.189
flat angles P-C4'-P energy: -7.534
tors. eta vs tors. theta energy: 1.457
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 46
Temperature: 1.250000
Total energy: -158.469874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.469874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.469874 (E_RNA)
where:
Base-Base interactions energy: -101.958
where: short stacking energy: -60.586
Base-Backbone interact. energy: 1.922
local terms energy: -58.434556
where:
bonds (distance) C4'-P energy: -10.823
bonds (distance) P-C4' energy: -15.666
flat angles C4'-P-C4' energy: -17.539
flat angles P-C4'-P energy: -6.186
tors. eta vs tors. theta energy: -8.220
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 46
Temperature: 1.300000
Total energy: -119.452144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.452144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.452144 (E_RNA)
where:
Base-Base interactions energy: -55.684
where: short stacking energy: -41.470
Base-Backbone interact. energy: -0.160
local terms energy: -63.608108
where:
bonds (distance) C4'-P energy: -14.383
bonds (distance) P-C4' energy: -19.432
flat angles C4'-P-C4' energy: -15.352
flat angles P-C4'-P energy: -9.173
tors. eta vs tors. theta energy: -5.268
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 46
Temperature: 1.350000
Total energy: -97.965231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.965231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.965231 (E_RNA)
where:
Base-Base interactions energy: -43.333
where: short stacking energy: -41.557
Base-Backbone interact. energy: -0.357
local terms energy: -54.275122
where:
bonds (distance) C4'-P energy: -13.819
bonds (distance) P-C4' energy: -15.548
flat angles C4'-P-C4' energy: -18.444
flat angles P-C4'-P energy: -9.669
tors. eta vs tors. theta energy: 3.205
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 47
Temperature: 0.900000
Total energy: -334.847982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.847982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.847982 (E_RNA)
where:
Base-Base interactions energy: -235.411
where: short stacking energy: -97.009
Base-Backbone interact. energy: -0.939
local terms energy: -98.497106
where:
bonds (distance) C4'-P energy: -19.169
bonds (distance) P-C4' energy: -22.062
flat angles C4'-P-C4' energy: -17.945
flat angles P-C4'-P energy: -13.658
tors. eta vs tors. theta energy: -25.663
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 47
Temperature: 0.950000
Total energy: -295.857578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.857578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.857578 (E_RNA)
where:
Base-Base interactions energy: -205.786
where: short stacking energy: -96.918
Base-Backbone interact. energy: -0.538
local terms energy: -89.533605
where:
bonds (distance) C4'-P energy: -19.539
bonds (distance) P-C4' energy: -5.773
flat angles C4'-P-C4' energy: -20.039
flat angles P-C4'-P energy: -17.360
tors. eta vs tors. theta energy: -26.822
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 47
Temperature: 1.000000
Total energy: -279.955036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.955036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.955036 (E_RNA)
where:
Base-Base interactions energy: -182.681
where: short stacking energy: -80.270
Base-Backbone interact. energy: -0.331
local terms energy: -96.943214
where:
bonds (distance) C4'-P energy: -20.068
bonds (distance) P-C4' energy: -20.461
flat angles C4'-P-C4' energy: -20.384
flat angles P-C4'-P energy: -15.759
tors. eta vs tors. theta energy: -20.271
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 47
Temperature: 1.050000
Total energy: -283.960255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.960255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.960255 (E_RNA)
where:
Base-Base interactions energy: -196.569
where: short stacking energy: -88.816
Base-Backbone interact. energy: -0.261
local terms energy: -87.129504
where:
bonds (distance) C4'-P energy: -21.284
bonds (distance) P-C4' energy: -13.832
flat angles C4'-P-C4' energy: -20.570
flat angles P-C4'-P energy: -9.875
tors. eta vs tors. theta energy: -21.568
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 47
Temperature: 1.100000
Total energy: -243.268271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.268271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.268271 (E_RNA)
where:
Base-Base interactions energy: -163.653
where: short stacking energy: -75.357
Base-Backbone interact. energy: 0.511
local terms energy: -80.126523
where:
bonds (distance) C4'-P energy: -16.382
bonds (distance) P-C4' energy: -19.643
flat angles C4'-P-C4' energy: -19.020
flat angles P-C4'-P energy: -12.566
tors. eta vs tors. theta energy: -12.515
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 47
Temperature: 1.150000
Total energy: -235.321869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.321869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.321869 (E_RNA)
where:
Base-Base interactions energy: -148.477
where: short stacking energy: -73.510
Base-Backbone interact. energy: 0.227
local terms energy: -87.071888
where:
bonds (distance) C4'-P energy: -17.872
bonds (distance) P-C4' energy: -16.631
flat angles C4'-P-C4' energy: -20.799
flat angles P-C4'-P energy: -12.939
tors. eta vs tors. theta energy: -18.831
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 47
Temperature: 1.200000
Total energy: -170.959275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.959275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.959275 (E_RNA)
where:
Base-Base interactions energy: -110.408
where: short stacking energy: -54.754
Base-Backbone interact. energy: -0.828
local terms energy: -59.722797
where:
bonds (distance) C4'-P energy: -11.805
bonds (distance) P-C4' energy: -16.183
flat angles C4'-P-C4' energy: -12.626
flat angles P-C4'-P energy: -7.861
tors. eta vs tors. theta energy: -11.249
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 47
Temperature: 1.250000
Total energy: -185.703400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.703400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.703400 (E_RNA)
where:
Base-Base interactions energy: -132.626
where: short stacking energy: -67.988
Base-Backbone interact. energy: -0.618
local terms energy: -52.459282
where:
bonds (distance) C4'-P energy: -8.120
bonds (distance) P-C4' energy: -10.562
flat angles C4'-P-C4' energy: -14.902
flat angles P-C4'-P energy: -10.161
tors. eta vs tors. theta energy: -8.714
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 47
Temperature: 1.300000
Total energy: -120.189035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.189035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.189035 (E_RNA)
where:
Base-Base interactions energy: -45.132
where: short stacking energy: -43.325
Base-Backbone interact. energy: -0.149
local terms energy: -74.908177
where:
bonds (distance) C4'-P energy: -20.556
bonds (distance) P-C4' energy: -22.296
flat angles C4'-P-C4' energy: -13.882
flat angles P-C4'-P energy: -11.378
tors. eta vs tors. theta energy: -6.796
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 47
Temperature: 1.350000
Total energy: -98.188953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.188953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.188953 (E_RNA)
where:
Base-Base interactions energy: -43.837
where: short stacking energy: -34.153
Base-Backbone interact. energy: -0.425
local terms energy: -53.926395
where:
bonds (distance) C4'-P energy: -14.874
bonds (distance) P-C4' energy: -11.843
flat angles C4'-P-C4' energy: -16.355
flat angles P-C4'-P energy: -10.093
tors. eta vs tors. theta energy: -0.761
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 48
Temperature: 0.900000
Total energy: -331.570284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.570284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.570284 (E_RNA)
where:
Base-Base interactions energy: -233.833
where: short stacking energy: -92.737
Base-Backbone interact. energy: -0.373
local terms energy: -97.364097
where:
bonds (distance) C4'-P energy: -19.874
bonds (distance) P-C4' energy: -17.762
flat angles C4'-P-C4' energy: -21.870
flat angles P-C4'-P energy: -11.543
tors. eta vs tors. theta energy: -26.314
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 48
Temperature: 0.950000
Total energy: -292.053875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.053875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.053875 (E_RNA)
where:
Base-Base interactions energy: -188.363
where: short stacking energy: -88.084
Base-Backbone interact. energy: -0.073
local terms energy: -103.617764
where:
bonds (distance) C4'-P energy: -20.599
bonds (distance) P-C4' energy: -20.015
flat angles C4'-P-C4' energy: -23.425
flat angles P-C4'-P energy: -15.056
tors. eta vs tors. theta energy: -24.523
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 48
Temperature: 1.000000
Total energy: -283.856094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.856094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.856094 (E_RNA)
where:
Base-Base interactions energy: -186.331
where: short stacking energy: -84.509
Base-Backbone interact. energy: 0.131
local terms energy: -97.655667
where:
bonds (distance) C4'-P energy: -18.930
bonds (distance) P-C4' energy: -17.417
flat angles C4'-P-C4' energy: -22.882
flat angles P-C4'-P energy: -13.775
tors. eta vs tors. theta energy: -24.652
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 48
Temperature: 1.050000
Total energy: -261.367451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.367451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.367451 (E_RNA)
where:
Base-Base interactions energy: -166.308
where: short stacking energy: -80.719
Base-Backbone interact. energy: -0.457
local terms energy: -94.602510
where:
bonds (distance) C4'-P energy: -18.381
bonds (distance) P-C4' energy: -20.478
flat angles C4'-P-C4' energy: -20.752
flat angles P-C4'-P energy: -13.191
tors. eta vs tors. theta energy: -21.800
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 48
Temperature: 1.100000
Total energy: -260.577309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.577309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.577309 (E_RNA)
where:
Base-Base interactions energy: -175.767
where: short stacking energy: -75.359
Base-Backbone interact. energy: -0.588
local terms energy: -84.221549
where:
bonds (distance) C4'-P energy: -15.478
bonds (distance) P-C4' energy: -21.744
flat angles C4'-P-C4' energy: -15.264
flat angles P-C4'-P energy: -10.910
tors. eta vs tors. theta energy: -20.826
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 48
Temperature: 1.150000
Total energy: -248.517882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.517882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.517882 (E_RNA)
where:
Base-Base interactions energy: -163.951
where: short stacking energy: -71.842
Base-Backbone interact. energy: -0.366
local terms energy: -84.200641
where:
bonds (distance) C4'-P energy: -15.964
bonds (distance) P-C4' energy: -20.682
flat angles C4'-P-C4' energy: -14.615
flat angles P-C4'-P energy: -16.594
tors. eta vs tors. theta energy: -16.346
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 48
Temperature: 1.200000
Total energy: -198.108464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.108464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.108464 (E_RNA)
where:
Base-Base interactions energy: -125.963
where: short stacking energy: -54.188
Base-Backbone interact. energy: -0.578
local terms energy: -71.567698
where:
bonds (distance) C4'-P energy: -17.338
bonds (distance) P-C4' energy: -19.707
flat angles C4'-P-C4' energy: -15.193
flat angles P-C4'-P energy: -8.785
tors. eta vs tors. theta energy: -10.544
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 48
Temperature: 1.250000
Total energy: -177.217991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.217991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.217991 (E_RNA)
where:
Base-Base interactions energy: -112.724
where: short stacking energy: -69.229
Base-Backbone interact. energy: -0.055
local terms energy: -64.439208
where:
bonds (distance) C4'-P energy: -15.788
bonds (distance) P-C4' energy: -11.145
flat angles C4'-P-C4' energy: -17.947
flat angles P-C4'-P energy: -2.696
tors. eta vs tors. theta energy: -16.863
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 48
Temperature: 1.300000
Total energy: -102.187999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.187999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.187999 (E_RNA)
where:
Base-Base interactions energy: -31.111
where: short stacking energy: -31.111
Base-Backbone interact. energy: -0.134
local terms energy: -70.943119
where:
bonds (distance) C4'-P energy: -19.358
bonds (distance) P-C4' energy: -19.794
flat angles C4'-P-C4' energy: -19.623
flat angles P-C4'-P energy: -7.806
tors. eta vs tors. theta energy: -4.362
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 48
Temperature: 1.350000
Total energy: -98.907326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.907326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.907326 (E_RNA)
where:
Base-Base interactions energy: -40.021
where: short stacking energy: -26.925
Base-Backbone interact. energy: -0.207
local terms energy: -58.679706
where:
bonds (distance) C4'-P energy: -14.173
bonds (distance) P-C4' energy: -23.491
flat angles C4'-P-C4' energy: -11.848
flat angles P-C4'-P energy: -10.127
tors. eta vs tors. theta energy: 0.959
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 49
Temperature: 0.900000
Total energy: -339.600341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.600341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.600341 (E_RNA)
where:
Base-Base interactions energy: -243.455
where: short stacking energy: -103.275
Base-Backbone interact. energy: -0.866
local terms energy: -95.279708
where:
bonds (distance) C4'-P energy: -17.923
bonds (distance) P-C4' energy: -17.679
flat angles C4'-P-C4' energy: -21.627
flat angles P-C4'-P energy: -16.218
tors. eta vs tors. theta energy: -21.832
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 49
Temperature: 0.950000
Total energy: -301.961901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.961901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.961901 (E_RNA)
where:
Base-Base interactions energy: -204.592
where: short stacking energy: -89.457
Base-Backbone interact. energy: -0.053
local terms energy: -97.317120
where:
bonds (distance) C4'-P energy: -16.871
bonds (distance) P-C4' energy: -23.363
flat angles C4'-P-C4' energy: -20.291
flat angles P-C4'-P energy: -14.395
tors. eta vs tors. theta energy: -22.398
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 49
Temperature: 1.000000
Total energy: -298.742157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.742157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.742157 (E_RNA)
where:
Base-Base interactions energy: -200.684
where: short stacking energy: -99.544
Base-Backbone interact. energy: -0.895
local terms energy: -97.163941
where:
bonds (distance) C4'-P energy: -18.938
bonds (distance) P-C4' energy: -18.772
flat angles C4'-P-C4' energy: -15.467
flat angles P-C4'-P energy: -15.779
tors. eta vs tors. theta energy: -28.208
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 49
Temperature: 1.050000
Total energy: -287.464273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.464273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.464273 (E_RNA)
where:
Base-Base interactions energy: -187.468
where: short stacking energy: -90.617
Base-Backbone interact. energy: -0.274
local terms energy: -99.722463
where:
bonds (distance) C4'-P energy: -21.640
bonds (distance) P-C4' energy: -22.431
flat angles C4'-P-C4' energy: -20.960
flat angles P-C4'-P energy: -10.884
tors. eta vs tors. theta energy: -23.807
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 49
Temperature: 1.100000
Total energy: -277.146504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.146504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.146504 (E_RNA)
where:
Base-Base interactions energy: -185.052
where: short stacking energy: -94.136
Base-Backbone interact. energy: -0.324
local terms energy: -91.770321
where:
bonds (distance) C4'-P energy: -19.720
bonds (distance) P-C4' energy: -14.061
flat angles C4'-P-C4' energy: -22.207
flat angles P-C4'-P energy: -12.128
tors. eta vs tors. theta energy: -23.653
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 49
Temperature: 1.150000
Total energy: -229.118159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.118159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.118159 (E_RNA)
where:
Base-Base interactions energy: -154.498
where: short stacking energy: -74.607
Base-Backbone interact. energy: -0.137
local terms energy: -74.482817
where:
bonds (distance) C4'-P energy: -17.654
bonds (distance) P-C4' energy: -15.102
flat angles C4'-P-C4' energy: -18.107
flat angles P-C4'-P energy: -6.976
tors. eta vs tors. theta energy: -16.643
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 49
Temperature: 1.200000
Total energy: -203.970936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.970936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.970936 (E_RNA)
where:
Base-Base interactions energy: -119.586
where: short stacking energy: -72.913
Base-Backbone interact. energy: -0.265
local terms energy: -84.119122
where:
bonds (distance) C4'-P energy: -22.245
bonds (distance) P-C4' energy: -14.098
flat angles C4'-P-C4' energy: -18.356
flat angles P-C4'-P energy: -12.631
tors. eta vs tors. theta energy: -16.789
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 49
Temperature: 1.250000
Total energy: -133.027884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.027884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.027884 (E_RNA)
where:
Base-Base interactions energy: -60.718
where: short stacking energy: -46.895
Base-Backbone interact. energy: -0.199
local terms energy: -72.111138
where:
bonds (distance) C4'-P energy: -18.868
bonds (distance) P-C4' energy: -15.602
flat angles C4'-P-C4' energy: -18.295
flat angles P-C4'-P energy: -15.612
tors. eta vs tors. theta energy: -3.734
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 49
Temperature: 1.300000
Total energy: -160.851768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.851768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.851768 (E_RNA)
where:
Base-Base interactions energy: -88.218
where: short stacking energy: -45.631
Base-Backbone interact. energy: -0.046
local terms energy: -72.587869
where:
bonds (distance) C4'-P energy: -17.232
bonds (distance) P-C4' energy: -18.359
flat angles C4'-P-C4' energy: -18.514
flat angles P-C4'-P energy: -13.381
tors. eta vs tors. theta energy: -5.102
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 49
Temperature: 1.350000
Total energy: -99.275842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.275842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.275842 (E_RNA)
where:
Base-Base interactions energy: -39.283
where: short stacking energy: -36.371
Base-Backbone interact. energy: -0.661
local terms energy: -59.331870
where:
bonds (distance) C4'-P energy: -19.544
bonds (distance) P-C4' energy: -19.980
flat angles C4'-P-C4' energy: -8.544
flat angles P-C4'-P energy: -6.728
tors. eta vs tors. theta energy: -4.536
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 50
Temperature: 0.900000
Total energy: -338.717506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.717506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.717506 (E_RNA)
where:
Base-Base interactions energy: -241.224
where: short stacking energy: -104.889
Base-Backbone interact. energy: -0.370
local terms energy: -97.123154
where:
bonds (distance) C4'-P energy: -17.858
bonds (distance) P-C4' energy: -21.637
flat angles C4'-P-C4' energy: -20.018
flat angles P-C4'-P energy: -12.817
tors. eta vs tors. theta energy: -24.794
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 50
Temperature: 0.950000
Total energy: -299.586830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.586830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.586830 (E_RNA)
where:
Base-Base interactions energy: -211.080
where: short stacking energy: -92.633
Base-Backbone interact. energy: -0.867
local terms energy: -87.639581
where:
bonds (distance) C4'-P energy: -21.596
bonds (distance) P-C4' energy: -16.298
flat angles C4'-P-C4' energy: -18.384
flat angles P-C4'-P energy: -10.117
tors. eta vs tors. theta energy: -21.245
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 50
Temperature: 1.000000
Total energy: -281.948868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.948868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.948868 (E_RNA)
where:
Base-Base interactions energy: -183.964
where: short stacking energy: -87.004
Base-Backbone interact. energy: -0.801
local terms energy: -97.183777
where:
bonds (distance) C4'-P energy: -17.824
bonds (distance) P-C4' energy: -22.455
flat angles C4'-P-C4' energy: -22.718
flat angles P-C4'-P energy: -13.928
tors. eta vs tors. theta energy: -20.259
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 50
Temperature: 1.050000
Total energy: -297.352053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.352053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.352053 (E_RNA)
where:
Base-Base interactions energy: -209.817
where: short stacking energy: -87.071
Base-Backbone interact. energy: -0.539
local terms energy: -86.995983
where:
bonds (distance) C4'-P energy: -17.613
bonds (distance) P-C4' energy: -15.608
flat angles C4'-P-C4' energy: -20.401
flat angles P-C4'-P energy: -11.571
tors. eta vs tors. theta energy: -21.803
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 50
Temperature: 1.100000
Total energy: -245.070938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.070938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.070938 (E_RNA)
where:
Base-Base interactions energy: -157.481
where: short stacking energy: -77.085
Base-Backbone interact. energy: -0.164
local terms energy: -87.425641
where:
bonds (distance) C4'-P energy: -16.992
bonds (distance) P-C4' energy: -18.924
flat angles C4'-P-C4' energy: -17.797
flat angles P-C4'-P energy: -15.279
tors. eta vs tors. theta energy: -18.433
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 50
Temperature: 1.150000
Total energy: -257.560679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.560679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.560679 (E_RNA)
where:
Base-Base interactions energy: -170.883
where: short stacking energy: -80.316
Base-Backbone interact. energy: 0.706
local terms energy: -87.383662
where:
bonds (distance) C4'-P energy: -17.711
bonds (distance) P-C4' energy: -19.654
flat angles C4'-P-C4' energy: -20.874
flat angles P-C4'-P energy: -10.142
tors. eta vs tors. theta energy: -19.003
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 50
Temperature: 1.200000
Total energy: -194.721153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.721153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.721153 (E_RNA)
where:
Base-Base interactions energy: -123.498
where: short stacking energy: -70.422
Base-Backbone interact. energy: -0.245
local terms energy: -70.978334
where:
bonds (distance) C4'-P energy: -15.058
bonds (distance) P-C4' energy: -15.642
flat angles C4'-P-C4' energy: -14.360
flat angles P-C4'-P energy: -6.493
tors. eta vs tors. theta energy: -19.425
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 50
Temperature: 1.250000
Total energy: -111.082636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.082636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.082636 (E_RNA)
where:
Base-Base interactions energy: -51.196
where: short stacking energy: -33.605
Base-Backbone interact. energy: -0.802
local terms energy: -59.084868
where:
bonds (distance) C4'-P energy: -16.562
bonds (distance) P-C4' energy: -21.916
flat angles C4'-P-C4' energy: -15.357
flat angles P-C4'-P energy: -7.086
tors. eta vs tors. theta energy: 1.836
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 50
Temperature: 1.300000
Total energy: -110.204377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.204377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.204377 (E_RNA)
where:
Base-Base interactions energy: -42.506
where: short stacking energy: -39.228
Base-Backbone interact. energy: -0.357
local terms energy: -67.340710
where:
bonds (distance) C4'-P energy: -14.653
bonds (distance) P-C4' energy: -23.025
flat angles C4'-P-C4' energy: -18.337
flat angles P-C4'-P energy: -10.252
tors. eta vs tors. theta energy: -1.072
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 50
Temperature: 1.350000
Total energy: -167.673271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.673271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.673271 (E_RNA)
where:
Base-Base interactions energy: -106.355
where: short stacking energy: -47.984
Base-Backbone interact. energy: 0.463
local terms energy: -61.781109
where:
bonds (distance) C4'-P energy: -15.567
bonds (distance) P-C4' energy: -17.928
flat angles C4'-P-C4' energy: -17.552
flat angles P-C4'-P energy: -5.351
tors. eta vs tors. theta energy: -5.382
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 51
Temperature: 0.900000
Total energy: -341.357363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.357363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.357363 (E_RNA)
where:
Base-Base interactions energy: -246.825
where: short stacking energy: -101.466
Base-Backbone interact. energy: -0.406
local terms energy: -94.126349
where:
bonds (distance) C4'-P energy: -21.998
bonds (distance) P-C4' energy: -21.014
flat angles C4'-P-C4' energy: -17.095
flat angles P-C4'-P energy: -12.380
tors. eta vs tors. theta energy: -21.639
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 51
Temperature: 0.950000
Total energy: -298.796395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.796395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.796395 (E_RNA)
where:
Base-Base interactions energy: -197.364
where: short stacking energy: -102.192
Base-Backbone interact. energy: -0.033
local terms energy: -101.399123
where:
bonds (distance) C4'-P energy: -21.674
bonds (distance) P-C4' energy: -20.697
flat angles C4'-P-C4' energy: -22.209
flat angles P-C4'-P energy: -10.939
tors. eta vs tors. theta energy: -25.880
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 51
Temperature: 1.000000
Total energy: -281.328237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.328237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.328237 (E_RNA)
where:
Base-Base interactions energy: -196.128
where: short stacking energy: -87.174
Base-Backbone interact. energy: 1.342
local terms energy: -86.542317
where:
bonds (distance) C4'-P energy: -12.327
bonds (distance) P-C4' energy: -20.880
flat angles C4'-P-C4' energy: -18.376
flat angles P-C4'-P energy: -15.036
tors. eta vs tors. theta energy: -19.924
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 51
Temperature: 1.050000
Total energy: -287.574568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.574568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.574568 (E_RNA)
where:
Base-Base interactions energy: -195.086
where: short stacking energy: -92.295
Base-Backbone interact. energy: -1.006
local terms energy: -91.482153
where:
bonds (distance) C4'-P energy: -19.667
bonds (distance) P-C4' energy: -16.056
flat angles C4'-P-C4' energy: -21.970
flat angles P-C4'-P energy: -11.738
tors. eta vs tors. theta energy: -22.050
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 51
Temperature: 1.100000
Total energy: -222.886876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.886876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.886876 (E_RNA)
where:
Base-Base interactions energy: -139.929
where: short stacking energy: -66.793
Base-Backbone interact. energy: -0.804
local terms energy: -82.154453
where:
bonds (distance) C4'-P energy: -18.239
bonds (distance) P-C4' energy: -20.249
flat angles C4'-P-C4' energy: -17.728
flat angles P-C4'-P energy: -13.964
tors. eta vs tors. theta energy: -11.974
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 51
Temperature: 1.150000
Total energy: -257.489165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.489165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.489165 (E_RNA)
where:
Base-Base interactions energy: -179.472
where: short stacking energy: -75.618
Base-Backbone interact. energy: 1.725
local terms energy: -79.742043
where:
bonds (distance) C4'-P energy: -17.041
bonds (distance) P-C4' energy: -19.986
flat angles C4'-P-C4' energy: -16.975
flat angles P-C4'-P energy: -10.952
tors. eta vs tors. theta energy: -14.788
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 51
Temperature: 1.200000
Total energy: -203.666432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.666432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.666432 (E_RNA)
where:
Base-Base interactions energy: -117.011
where: short stacking energy: -70.991
Base-Backbone interact. energy: -0.052
local terms energy: -86.603416
where:
bonds (distance) C4'-P energy: -16.602
bonds (distance) P-C4' energy: -20.897
flat angles C4'-P-C4' energy: -20.716
flat angles P-C4'-P energy: -12.486
tors. eta vs tors. theta energy: -15.903
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 51
Temperature: 1.250000
Total energy: -120.485414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.485414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.485414 (E_RNA)
where:
Base-Base interactions energy: -51.182
where: short stacking energy: -51.182
Base-Backbone interact. energy: -0.045
local terms energy: -69.258554
where:
bonds (distance) C4'-P energy: -15.729
bonds (distance) P-C4' energy: -19.129
flat angles C4'-P-C4' energy: -11.796
flat angles P-C4'-P energy: -13.655
tors. eta vs tors. theta energy: -8.949
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 51
Temperature: 1.300000
Total energy: -100.464989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.464989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.464989 (E_RNA)
where:
Base-Base interactions energy: -23.423
where: short stacking energy: -16.120
Base-Backbone interact. energy: -0.119
local terms energy: -76.922730
where:
bonds (distance) C4'-P energy: -18.874
bonds (distance) P-C4' energy: -21.095
flat angles C4'-P-C4' energy: -21.332
flat angles P-C4'-P energy: -14.703
tors. eta vs tors. theta energy: -0.920
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 51
Temperature: 1.350000
Total energy: -193.908366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.908366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.908366 (E_RNA)
where:
Base-Base interactions energy: -125.393
where: short stacking energy: -62.777
Base-Backbone interact. energy: -0.193
local terms energy: -68.322468
where:
bonds (distance) C4'-P energy: -20.125
bonds (distance) P-C4' energy: -15.684
flat angles C4'-P-C4' energy: -16.706
flat angles P-C4'-P energy: -8.661
tors. eta vs tors. theta energy: -7.147
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 52
Temperature: 0.900000
Total energy: -338.447438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.447438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.447438 (E_RNA)
where:
Base-Base interactions energy: -242.310
where: short stacking energy: -95.524
Base-Backbone interact. energy: -0.131
local terms energy: -96.007021
where:
bonds (distance) C4'-P energy: -17.564
bonds (distance) P-C4' energy: -20.762
flat angles C4'-P-C4' energy: -15.218
flat angles P-C4'-P energy: -16.158
tors. eta vs tors. theta energy: -26.305
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 52
Temperature: 0.950000
Total energy: -294.045695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.045695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.045695 (E_RNA)
where:
Base-Base interactions energy: -195.557
where: short stacking energy: -88.850
Base-Backbone interact. energy: 0.327
local terms energy: -98.815346
where:
bonds (distance) C4'-P energy: -18.598
bonds (distance) P-C4' energy: -19.227
flat angles C4'-P-C4' energy: -20.653
flat angles P-C4'-P energy: -15.484
tors. eta vs tors. theta energy: -24.854
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 52
Temperature: 1.000000
Total energy: -307.267030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.267030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.267030 (E_RNA)
where:
Base-Base interactions energy: -203.352
where: short stacking energy: -101.802
Base-Backbone interact. energy: -0.128
local terms energy: -103.786656
where:
bonds (distance) C4'-P energy: -21.864
bonds (distance) P-C4' energy: -22.157
flat angles C4'-P-C4' energy: -20.143
flat angles P-C4'-P energy: -15.146
tors. eta vs tors. theta energy: -24.476
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 52
Temperature: 1.050000
Total energy: -284.421995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.421995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.421995 (E_RNA)
where:
Base-Base interactions energy: -195.231
where: short stacking energy: -82.245
Base-Backbone interact. energy: -0.512
local terms energy: -88.679260
where:
bonds (distance) C4'-P energy: -16.983
bonds (distance) P-C4' energy: -18.601
flat angles C4'-P-C4' energy: -17.832
flat angles P-C4'-P energy: -11.657
tors. eta vs tors. theta energy: -23.607
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 52
Temperature: 1.100000
Total energy: -259.637773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.637773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.637773 (E_RNA)
where:
Base-Base interactions energy: -176.425
where: short stacking energy: -69.138
Base-Backbone interact. energy: -0.646
local terms energy: -82.566562
where:
bonds (distance) C4'-P energy: -17.187
bonds (distance) P-C4' energy: -18.427
flat angles C4'-P-C4' energy: -21.596
flat angles P-C4'-P energy: -11.086
tors. eta vs tors. theta energy: -14.271
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 52
Temperature: 1.150000
Total energy: -241.494760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.494760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.494760 (E_RNA)
where:
Base-Base interactions energy: -164.747
where: short stacking energy: -73.617
Base-Backbone interact. energy: 0.730
local terms energy: -77.477276
where:
bonds (distance) C4'-P energy: -16.089
bonds (distance) P-C4' energy: -15.871
flat angles C4'-P-C4' energy: -17.184
flat angles P-C4'-P energy: -12.888
tors. eta vs tors. theta energy: -15.445
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 52
Temperature: 1.200000
Total energy: -209.290333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.290333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.290333 (E_RNA)
where:
Base-Base interactions energy: -125.015
where: short stacking energy: -73.913
Base-Backbone interact. energy: -0.016
local terms energy: -84.259925
where:
bonds (distance) C4'-P energy: -19.376
bonds (distance) P-C4' energy: -20.051
flat angles C4'-P-C4' energy: -20.375
flat angles P-C4'-P energy: -8.517
tors. eta vs tors. theta energy: -15.941
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 52
Temperature: 1.250000
Total energy: -115.662381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.662381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.662381 (E_RNA)
where:
Base-Base interactions energy: -55.119
where: short stacking energy: -44.369
Base-Backbone interact. energy: 1.050
local terms energy: -61.593575
where:
bonds (distance) C4'-P energy: -17.927
bonds (distance) P-C4' energy: -14.180
flat angles C4'-P-C4' energy: -19.077
flat angles P-C4'-P energy: -7.079
tors. eta vs tors. theta energy: -3.331
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 52
Temperature: 1.300000
Total energy: -207.640169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.640169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.640169 (E_RNA)
where:
Base-Base interactions energy: -130.314
where: short stacking energy: -63.127
Base-Backbone interact. energy: -0.354
local terms energy: -76.972377
where:
bonds (distance) C4'-P energy: -11.118
bonds (distance) P-C4' energy: -18.186
flat angles C4'-P-C4' energy: -18.620
flat angles P-C4'-P energy: -10.750
tors. eta vs tors. theta energy: -18.298
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 52
Temperature: 1.350000
Total energy: -102.096918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.096918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.096918 (E_RNA)
where:
Base-Base interactions energy: -43.289
where: short stacking energy: -43.289
Base-Backbone interact. energy: -0.213
local terms energy: -58.593980
where:
bonds (distance) C4'-P energy: -13.253
bonds (distance) P-C4' energy: -20.335
flat angles C4'-P-C4' energy: -16.702
flat angles P-C4'-P energy: -5.819
tors. eta vs tors. theta energy: -2.485
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 53
Temperature: 0.900000
Total energy: -327.623610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.623610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.623610 (E_RNA)
where:
Base-Base interactions energy: -237.461
where: short stacking energy: -89.666
Base-Backbone interact. energy: 0.959
local terms energy: -91.122095
where:
bonds (distance) C4'-P energy: -18.869
bonds (distance) P-C4' energy: -21.375
flat angles C4'-P-C4' energy: -17.527
flat angles P-C4'-P energy: -10.007
tors. eta vs tors. theta energy: -23.345
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 53
Temperature: 0.950000
Total energy: -302.521448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.521448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.521448 (E_RNA)
where:
Base-Base interactions energy: -198.714
where: short stacking energy: -94.108
Base-Backbone interact. energy: -0.243
local terms energy: -103.564472
where:
bonds (distance) C4'-P energy: -16.703
bonds (distance) P-C4' energy: -21.759
flat angles C4'-P-C4' energy: -25.096
flat angles P-C4'-P energy: -15.839
tors. eta vs tors. theta energy: -24.168
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 53
Temperature: 1.000000
Total energy: -302.092336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.092336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.092336 (E_RNA)
where:
Base-Base interactions energy: -198.970
where: short stacking energy: -102.877
Base-Backbone interact. energy: -0.237
local terms energy: -102.885485
where:
bonds (distance) C4'-P energy: -19.261
bonds (distance) P-C4' energy: -21.792
flat angles C4'-P-C4' energy: -20.969
flat angles P-C4'-P energy: -14.394
tors. eta vs tors. theta energy: -26.470
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 53
Temperature: 1.050000
Total energy: -258.467583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.467583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.467583 (E_RNA)
where:
Base-Base interactions energy: -171.111
where: short stacking energy: -75.674
Base-Backbone interact. energy: -0.896
local terms energy: -86.461239
where:
bonds (distance) C4'-P energy: -17.251
bonds (distance) P-C4' energy: -19.802
flat angles C4'-P-C4' energy: -17.762
flat angles P-C4'-P energy: -11.635
tors. eta vs tors. theta energy: -20.012
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 53
Temperature: 1.100000
Total energy: -276.688698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.688698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.688698 (E_RNA)
where:
Base-Base interactions energy: -183.203
where: short stacking energy: -81.278
Base-Backbone interact. energy: -0.032
local terms energy: -93.454343
where:
bonds (distance) C4'-P energy: -20.739
bonds (distance) P-C4' energy: -18.936
flat angles C4'-P-C4' energy: -18.023
flat angles P-C4'-P energy: -14.319
tors. eta vs tors. theta energy: -21.438
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 53
Temperature: 1.150000
Total energy: -232.715425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.715425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.715425 (E_RNA)
where:
Base-Base interactions energy: -153.225
where: short stacking energy: -75.328
Base-Backbone interact. energy: -0.134
local terms energy: -79.356283
where:
bonds (distance) C4'-P energy: -11.236
bonds (distance) P-C4' energy: -20.443
flat angles C4'-P-C4' energy: -15.645
flat angles P-C4'-P energy: -13.756
tors. eta vs tors. theta energy: -18.275
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 53
Temperature: 1.200000
Total energy: -204.924237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.924237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.924237 (E_RNA)
where:
Base-Base interactions energy: -135.175
where: short stacking energy: -68.353
Base-Backbone interact. energy: -0.106
local terms energy: -69.643094
where:
bonds (distance) C4'-P energy: -13.349
bonds (distance) P-C4' energy: -14.272
flat angles C4'-P-C4' energy: -14.628
flat angles P-C4'-P energy: -9.049
tors. eta vs tors. theta energy: -18.345
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 53
Temperature: 1.250000
Total energy: -212.258898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.258898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.258898 (E_RNA)
where:
Base-Base interactions energy: -132.953
where: short stacking energy: -62.002
Base-Backbone interact. energy: 1.088
local terms energy: -80.393239
where:
bonds (distance) C4'-P energy: -10.176
bonds (distance) P-C4' energy: -20.475
flat angles C4'-P-C4' energy: -18.767
flat angles P-C4'-P energy: -12.363
tors. eta vs tors. theta energy: -18.611
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 53
Temperature: 1.300000
Total energy: -124.862018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.862018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.862018 (E_RNA)
where:
Base-Base interactions energy: -48.102
where: short stacking energy: -45.874
Base-Backbone interact. energy: -1.185
local terms energy: -75.574468
where:
bonds (distance) C4'-P energy: -16.661
bonds (distance) P-C4' energy: -20.302
flat angles C4'-P-C4' energy: -13.904
flat angles P-C4'-P energy: -14.599
tors. eta vs tors. theta energy: -10.109
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 53
Temperature: 1.350000
Total energy: -113.442235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.442235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.442235 (E_RNA)
where:
Base-Base interactions energy: -47.523
where: short stacking energy: -47.823
Base-Backbone interact. energy: -0.258
local terms energy: -65.661210
where:
bonds (distance) C4'-P energy: -11.821
bonds (distance) P-C4' energy: -20.865
flat angles C4'-P-C4' energy: -13.966
flat angles P-C4'-P energy: -11.040
tors. eta vs tors. theta energy: -7.969
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 54
Temperature: 0.900000
Total energy: -309.002037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.002037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.002037 (E_RNA)
where:
Base-Base interactions energy: -205.855
where: short stacking energy: -101.927
Base-Backbone interact. energy: -0.240
local terms energy: -102.906950
where:
bonds (distance) C4'-P energy: -20.825
bonds (distance) P-C4' energy: -21.078
flat angles C4'-P-C4' energy: -19.837
flat angles P-C4'-P energy: -17.424
tors. eta vs tors. theta energy: -23.744
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 54
Temperature: 0.950000
Total energy: -332.386623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.386623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.386623 (E_RNA)
where:
Base-Base interactions energy: -237.967
where: short stacking energy: -88.420
Base-Backbone interact. energy: 0.942
local terms energy: -95.361827
where:
bonds (distance) C4'-P energy: -19.284
bonds (distance) P-C4' energy: -21.620
flat angles C4'-P-C4' energy: -18.139
flat angles P-C4'-P energy: -12.634
tors. eta vs tors. theta energy: -23.686
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 54
Temperature: 1.000000
Total energy: -296.629369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.629369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.629369 (E_RNA)
where:
Base-Base interactions energy: -200.897
where: short stacking energy: -78.599
Base-Backbone interact. energy: -0.179
local terms energy: -95.553670
where:
bonds (distance) C4'-P energy: -20.652
bonds (distance) P-C4' energy: -21.197
flat angles C4'-P-C4' energy: -20.001
flat angles P-C4'-P energy: -13.394
tors. eta vs tors. theta energy: -20.309
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 54
Temperature: 1.050000
Total energy: -270.246858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.246858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.246858 (E_RNA)
where:
Base-Base interactions energy: -177.003
where: short stacking energy: -83.612
Base-Backbone interact. energy: -0.484
local terms energy: -92.758967
where:
bonds (distance) C4'-P energy: -19.906
bonds (distance) P-C4' energy: -19.413
flat angles C4'-P-C4' energy: -18.560
flat angles P-C4'-P energy: -13.255
tors. eta vs tors. theta energy: -21.624
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 54
Temperature: 1.100000
Total energy: -260.791816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.791816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.791816 (E_RNA)
where:
Base-Base interactions energy: -174.712
where: short stacking energy: -78.610
Base-Backbone interact. energy: -1.898
local terms energy: -84.181735
where:
bonds (distance) C4'-P energy: -18.409
bonds (distance) P-C4' energy: -16.732
flat angles C4'-P-C4' energy: -20.131
flat angles P-C4'-P energy: -10.405
tors. eta vs tors. theta energy: -18.505
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 54
Temperature: 1.150000
Total energy: -207.683934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.683934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.683934 (E_RNA)
where:
Base-Base interactions energy: -136.107
where: short stacking energy: -56.331
Base-Backbone interact. energy: -0.226
local terms energy: -71.350723
where:
bonds (distance) C4'-P energy: -17.236
bonds (distance) P-C4' energy: -17.352
flat angles C4'-P-C4' energy: -15.780
flat angles P-C4'-P energy: -9.360
tors. eta vs tors. theta energy: -11.623
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 54
Temperature: 1.200000
Total energy: -241.868219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.868219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.868219 (E_RNA)
where:
Base-Base interactions energy: -162.865
where: short stacking energy: -81.889
Base-Backbone interact. energy: -0.673
local terms energy: -78.330028
where:
bonds (distance) C4'-P energy: -18.652
bonds (distance) P-C4' energy: -15.283
flat angles C4'-P-C4' energy: -18.017
flat angles P-C4'-P energy: -7.844
tors. eta vs tors. theta energy: -18.535
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 54
Temperature: 1.250000
Total energy: -201.889744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.889744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.889744 (E_RNA)
where:
Base-Base interactions energy: -124.166
where: short stacking energy: -58.090
Base-Backbone interact. energy: 2.098
local terms energy: -79.821301
where:
bonds (distance) C4'-P energy: -15.583
bonds (distance) P-C4' energy: -19.695
flat angles C4'-P-C4' energy: -12.925
flat angles P-C4'-P energy: -12.855
tors. eta vs tors. theta energy: -18.763
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 54
Temperature: 1.300000
Total energy: -118.320705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.320705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.320705 (E_RNA)
where:
Base-Base interactions energy: -58.828
where: short stacking energy: -58.828
Base-Backbone interact. energy: 0.565
local terms energy: -60.057988
where:
bonds (distance) C4'-P energy: -13.033
bonds (distance) P-C4' energy: -17.924
flat angles C4'-P-C4' energy: -15.484
flat angles P-C4'-P energy: -4.343
tors. eta vs tors. theta energy: -9.275
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 54
Temperature: 1.350000
Total energy: -106.087466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.087466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.087466 (E_RNA)
where:
Base-Base interactions energy: -38.773
where: short stacking energy: -37.616
Base-Backbone interact. energy: -0.255
local terms energy: -67.059405
where:
bonds (distance) C4'-P energy: -14.408
bonds (distance) P-C4' energy: -11.642
flat angles C4'-P-C4' energy: -22.392
flat angles P-C4'-P energy: -15.803
tors. eta vs tors. theta energy: -2.814
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 55
Temperature: 0.900000
Total energy: -300.688032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.688032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.688032 (E_RNA)
where:
Base-Base interactions energy: -200.508
where: short stacking energy: -101.666
Base-Backbone interact. energy: -0.031
local terms energy: -100.148927
where:
bonds (distance) C4'-P energy: -18.736
bonds (distance) P-C4' energy: -20.306
flat angles C4'-P-C4' energy: -20.918
flat angles P-C4'-P energy: -12.708
tors. eta vs tors. theta energy: -27.482
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 55
Temperature: 0.950000
Total energy: -320.789988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.789988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.789988 (E_RNA)
where:
Base-Base interactions energy: -231.872
where: short stacking energy: -93.727
Base-Backbone interact. energy: -0.135
local terms energy: -88.783148
where:
bonds (distance) C4'-P energy: -15.558
bonds (distance) P-C4' energy: -17.574
flat angles C4'-P-C4' energy: -21.236
flat angles P-C4'-P energy: -8.827
tors. eta vs tors. theta energy: -25.588
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 55
Temperature: 1.000000
Total energy: -288.583928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.583928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.583928 (E_RNA)
where:
Base-Base interactions energy: -193.426
where: short stacking energy: -93.471
Base-Backbone interact. energy: -0.632
local terms energy: -94.526063
where:
bonds (distance) C4'-P energy: -19.772
bonds (distance) P-C4' energy: -16.539
flat angles C4'-P-C4' energy: -22.607
flat angles P-C4'-P energy: -14.172
tors. eta vs tors. theta energy: -21.436
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 55
Temperature: 1.050000
Total energy: -278.664024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.664024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.664024 (E_RNA)
where:
Base-Base interactions energy: -185.875
where: short stacking energy: -81.759
Base-Backbone interact. energy: -0.247
local terms energy: -92.541944
where:
bonds (distance) C4'-P energy: -20.006
bonds (distance) P-C4' energy: -17.588
flat angles C4'-P-C4' energy: -15.778
flat angles P-C4'-P energy: -13.409
tors. eta vs tors. theta energy: -25.762
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 55
Temperature: 1.100000
Total energy: -266.051953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.051953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.051953 (E_RNA)
where:
Base-Base interactions energy: -178.262
where: short stacking energy: -70.975
Base-Backbone interact. energy: -0.644
local terms energy: -87.146082
where:
bonds (distance) C4'-P energy: -19.453
bonds (distance) P-C4' energy: -17.548
flat angles C4'-P-C4' energy: -21.056
flat angles P-C4'-P energy: -13.917
tors. eta vs tors. theta energy: -15.171
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 55
Temperature: 1.150000
Total energy: -247.392370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.392370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.392370 (E_RNA)
where:
Base-Base interactions energy: -156.413
where: short stacking energy: -69.746
Base-Backbone interact. energy: -0.198
local terms energy: -90.781440
where:
bonds (distance) C4'-P energy: -21.910
bonds (distance) P-C4' energy: -18.674
flat angles C4'-P-C4' energy: -15.087
flat angles P-C4'-P energy: -13.773
tors. eta vs tors. theta energy: -21.337
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 55
Temperature: 1.200000
Total energy: -201.990468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.990468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.990468 (E_RNA)
where:
Base-Base interactions energy: -129.109
where: short stacking energy: -63.482
Base-Backbone interact. energy: -0.141
local terms energy: -72.741063
where:
bonds (distance) C4'-P energy: -16.548
bonds (distance) P-C4' energy: -21.852
flat angles C4'-P-C4' energy: -12.181
flat angles P-C4'-P energy: -9.437
tors. eta vs tors. theta energy: -12.723
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 55
Temperature: 1.250000
Total energy: -184.646744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.646744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.646744 (E_RNA)
where:
Base-Base interactions energy: -125.139
where: short stacking energy: -51.898
Base-Backbone interact. energy: -0.956
local terms energy: -58.551445
where:
bonds (distance) C4'-P energy: -7.615
bonds (distance) P-C4' energy: -17.970
flat angles C4'-P-C4' energy: -15.579
flat angles P-C4'-P energy: -8.258
tors. eta vs tors. theta energy: -9.130
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 55
Temperature: 1.300000
Total energy: -119.656116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.656116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.656116 (E_RNA)
where:
Base-Base interactions energy: -54.123
where: short stacking energy: -50.804
Base-Backbone interact. energy: -0.227
local terms energy: -65.305870
where:
bonds (distance) C4'-P energy: -17.498
bonds (distance) P-C4' energy: -11.267
flat angles C4'-P-C4' energy: -16.587
flat angles P-C4'-P energy: -14.450
tors. eta vs tors. theta energy: -5.504
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 55
Temperature: 1.350000
Total energy: -112.306226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.306226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.306226 (E_RNA)
where:
Base-Base interactions energy: -50.941
where: short stacking energy: -49.518
Base-Backbone interact. energy: 0.481
local terms energy: -61.846438
where:
bonds (distance) C4'-P energy: -10.048
bonds (distance) P-C4' energy: -16.698
flat angles C4'-P-C4' energy: -16.044
flat angles P-C4'-P energy: -8.258
tors. eta vs tors. theta energy: -10.799
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 56
Temperature: 0.900000
Total energy: -326.670209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.670209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.670209 (E_RNA)
where:
Base-Base interactions energy: -228.063
where: short stacking energy: -90.739
Base-Backbone interact. energy: -0.314
local terms energy: -98.293639
where:
bonds (distance) C4'-P energy: -23.016
bonds (distance) P-C4' energy: -17.678
flat angles C4'-P-C4' energy: -16.653
flat angles P-C4'-P energy: -15.172
tors. eta vs tors. theta energy: -25.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 56
Temperature: 0.950000
Total energy: -301.204446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.204446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.204446 (E_RNA)
where:
Base-Base interactions energy: -207.571
where: short stacking energy: -96.955
Base-Backbone interact. energy: -0.244
local terms energy: -93.388800
where:
bonds (distance) C4'-P energy: -15.650
bonds (distance) P-C4' energy: -17.695
flat angles C4'-P-C4' energy: -19.495
flat angles P-C4'-P energy: -13.829
tors. eta vs tors. theta energy: -26.720
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 56
Temperature: 1.000000
Total energy: -284.445347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.445347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.445347 (E_RNA)
where:
Base-Base interactions energy: -192.810
where: short stacking energy: -91.547
Base-Backbone interact. energy: -0.644
local terms energy: -90.991143
where:
bonds (distance) C4'-P energy: -13.865
bonds (distance) P-C4' energy: -17.892
flat angles C4'-P-C4' energy: -20.063
flat angles P-C4'-P energy: -13.275
tors. eta vs tors. theta energy: -25.896
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 56
Temperature: 1.050000
Total energy: -279.077607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.077607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.077607 (E_RNA)
where:
Base-Base interactions energy: -191.228
where: short stacking energy: -88.149
Base-Backbone interact. energy: -0.090
local terms energy: -87.759293
where:
bonds (distance) C4'-P energy: -22.891
bonds (distance) P-C4' energy: -15.997
flat angles C4'-P-C4' energy: -19.489
flat angles P-C4'-P energy: -7.175
tors. eta vs tors. theta energy: -22.207
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 56
Temperature: 1.100000
Total energy: -271.674952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.674952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.674952 (E_RNA)
where:
Base-Base interactions energy: -174.786
where: short stacking energy: -85.137
Base-Backbone interact. energy: -0.128
local terms energy: -96.761390
where:
bonds (distance) C4'-P energy: -21.006
bonds (distance) P-C4' energy: -18.948
flat angles C4'-P-C4' energy: -20.938
flat angles P-C4'-P energy: -13.932
tors. eta vs tors. theta energy: -21.938
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 56
Temperature: 1.150000
Total energy: -236.685790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.685790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.685790 (E_RNA)
where:
Base-Base interactions energy: -154.906
where: short stacking energy: -64.451
Base-Backbone interact. energy: -0.576
local terms energy: -81.204587
where:
bonds (distance) C4'-P energy: -20.121
bonds (distance) P-C4' energy: -17.626
flat angles C4'-P-C4' energy: -20.086
flat angles P-C4'-P energy: -10.679
tors. eta vs tors. theta energy: -12.694
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 56
Temperature: 1.200000
Total energy: -216.432176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.432176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.432176 (E_RNA)
where:
Base-Base interactions energy: -137.814
where: short stacking energy: -65.184
Base-Backbone interact. energy: -1.123
local terms energy: -77.495098
where:
bonds (distance) C4'-P energy: -17.118
bonds (distance) P-C4' energy: -12.359
flat angles C4'-P-C4' energy: -20.530
flat angles P-C4'-P energy: -14.629
tors. eta vs tors. theta energy: -12.859
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 56
Temperature: 1.250000
Total energy: -182.841753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.841753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.841753 (E_RNA)
where:
Base-Base interactions energy: -115.904
where: short stacking energy: -52.727
Base-Backbone interact. energy: -0.152
local terms energy: -66.786457
where:
bonds (distance) C4'-P energy: -13.185
bonds (distance) P-C4' energy: -16.948
flat angles C4'-P-C4' energy: -18.664
flat angles P-C4'-P energy: -11.531
tors. eta vs tors. theta energy: -6.459
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 56
Temperature: 1.300000
Total energy: -130.471729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.471729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.471729 (E_RNA)
where:
Base-Base interactions energy: -66.139
where: short stacking energy: -46.372
Base-Backbone interact. energy: -0.116
local terms energy: -64.215966
where:
bonds (distance) C4'-P energy: -13.829
bonds (distance) P-C4' energy: -17.940
flat angles C4'-P-C4' energy: -7.943
flat angles P-C4'-P energy: -10.179
tors. eta vs tors. theta energy: -14.325
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 56
Temperature: 1.350000
Total energy: -103.814157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.814157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.814157 (E_RNA)
where:
Base-Base interactions energy: -38.673
where: short stacking energy: -36.359
Base-Backbone interact. energy: 2.995
local terms energy: -68.135981
where:
bonds (distance) C4'-P energy: -10.419
bonds (distance) P-C4' energy: -22.272
flat angles C4'-P-C4' energy: -15.659
flat angles P-C4'-P energy: -12.582
tors. eta vs tors. theta energy: -7.204
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 57
Temperature: 0.900000
Total energy: -320.278197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.278197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.278197 (E_RNA)
where:
Base-Base interactions energy: -224.492
where: short stacking energy: -87.939
Base-Backbone interact. energy: 0.048
local terms energy: -95.833324
where:
bonds (distance) C4'-P energy: -20.561
bonds (distance) P-C4' energy: -21.181
flat angles C4'-P-C4' energy: -18.992
flat angles P-C4'-P energy: -12.325
tors. eta vs tors. theta energy: -22.774
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 57
Temperature: 0.950000
Total energy: -296.043777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.043777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.043777 (E_RNA)
where:
Base-Base interactions energy: -197.971
where: short stacking energy: -92.327
Base-Backbone interact. energy: -0.088
local terms energy: -97.984789
where:
bonds (distance) C4'-P energy: -18.690
bonds (distance) P-C4' energy: -20.799
flat angles C4'-P-C4' energy: -21.358
flat angles P-C4'-P energy: -14.254
tors. eta vs tors. theta energy: -22.884
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 57
Temperature: 1.000000
Total energy: -296.611058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.611058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.611058 (E_RNA)
where:
Base-Base interactions energy: -192.819
where: short stacking energy: -97.776
Base-Backbone interact. energy: -0.479
local terms energy: -103.312863
where:
bonds (distance) C4'-P energy: -23.938
bonds (distance) P-C4' energy: -21.146
flat angles C4'-P-C4' energy: -20.693
flat angles P-C4'-P energy: -13.770
tors. eta vs tors. theta energy: -23.766
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 57
Temperature: 1.050000
Total energy: -265.136617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.136617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.136617 (E_RNA)
where:
Base-Base interactions energy: -170.176
where: short stacking energy: -90.656
Base-Backbone interact. energy: -0.091
local terms energy: -94.869736
where:
bonds (distance) C4'-P energy: -17.195
bonds (distance) P-C4' energy: -19.687
flat angles C4'-P-C4' energy: -20.228
flat angles P-C4'-P energy: -14.056
tors. eta vs tors. theta energy: -23.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 57
Temperature: 1.100000
Total energy: -291.861179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.861179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.861179 (E_RNA)
where:
Base-Base interactions energy: -194.792
where: short stacking energy: -91.154
Base-Backbone interact. energy: -0.770
local terms energy: -96.299494
where:
bonds (distance) C4'-P energy: -15.817
bonds (distance) P-C4' energy: -16.126
flat angles C4'-P-C4' energy: -21.734
flat angles P-C4'-P energy: -16.347
tors. eta vs tors. theta energy: -26.276
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 57
Temperature: 1.150000
Total energy: -238.421553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.421553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.421553 (E_RNA)
where:
Base-Base interactions energy: -159.142
where: short stacking energy: -66.253
Base-Backbone interact. energy: -0.277
local terms energy: -79.002601
where:
bonds (distance) C4'-P energy: -19.186
bonds (distance) P-C4' energy: -20.477
flat angles C4'-P-C4' energy: -16.842
flat angles P-C4'-P energy: -10.273
tors. eta vs tors. theta energy: -12.224
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 57
Temperature: 1.200000
Total energy: -217.517459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.517459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.517459 (E_RNA)
where:
Base-Base interactions energy: -146.255
where: short stacking energy: -62.405
Base-Backbone interact. energy: -0.369
local terms energy: -70.893320
where:
bonds (distance) C4'-P energy: -15.645
bonds (distance) P-C4' energy: -20.473
flat angles C4'-P-C4' energy: -17.648
flat angles P-C4'-P energy: -7.537
tors. eta vs tors. theta energy: -9.590
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 57
Temperature: 1.250000
Total energy: -201.030687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.030687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.030687 (E_RNA)
where:
Base-Base interactions energy: -127.780
where: short stacking energy: -56.756
Base-Backbone interact. energy: -0.449
local terms energy: -72.801658
where:
bonds (distance) C4'-P energy: -18.834
bonds (distance) P-C4' energy: -17.462
flat angles C4'-P-C4' energy: -17.753
flat angles P-C4'-P energy: -10.141
tors. eta vs tors. theta energy: -8.611
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 57
Temperature: 1.300000
Total energy: -121.282329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.282329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.282329 (E_RNA)
where:
Base-Base interactions energy: -58.847
where: short stacking energy: -50.858
Base-Backbone interact. energy: -0.134
local terms energy: -62.301249
where:
bonds (distance) C4'-P energy: -15.162
bonds (distance) P-C4' energy: -18.863
flat angles C4'-P-C4' energy: -9.203
flat angles P-C4'-P energy: -6.902
tors. eta vs tors. theta energy: -12.172
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 57
Temperature: 1.350000
Total energy: -101.970302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.970302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.970302 (E_RNA)
where:
Base-Base interactions energy: -36.128
where: short stacking energy: -30.782
Base-Backbone interact. energy: -0.334
local terms energy: -65.508390
where:
bonds (distance) C4'-P energy: -15.609
bonds (distance) P-C4' energy: -20.796
flat angles C4'-P-C4' energy: -12.468
flat angles P-C4'-P energy: -12.403
tors. eta vs tors. theta energy: -4.231
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 58
Temperature: 0.900000
Total energy: -324.765336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.765336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.765336 (E_RNA)
where:
Base-Base interactions energy: -227.265
where: short stacking energy: -91.994
Base-Backbone interact. energy: -0.531
local terms energy: -96.969554
where:
bonds (distance) C4'-P energy: -17.582
bonds (distance) P-C4' energy: -21.026
flat angles C4'-P-C4' energy: -18.810
flat angles P-C4'-P energy: -16.922
tors. eta vs tors. theta energy: -22.631
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 58
Temperature: 0.950000
Total energy: -284.377502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.377502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.377502 (E_RNA)
where:
Base-Base interactions energy: -183.677
where: short stacking energy: -89.259
Base-Backbone interact. energy: -0.358
local terms energy: -100.342477
where:
bonds (distance) C4'-P energy: -20.176
bonds (distance) P-C4' energy: -19.178
flat angles C4'-P-C4' energy: -19.730
flat angles P-C4'-P energy: -15.658
tors. eta vs tors. theta energy: -25.600
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 58
Temperature: 1.000000
Total energy: -285.592072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.592072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.592072 (E_RNA)
where:
Base-Base interactions energy: -189.110
where: short stacking energy: -91.955
Base-Backbone interact. energy: -0.100
local terms energy: -96.382156
where:
bonds (distance) C4'-P energy: -21.505
bonds (distance) P-C4' energy: -17.825
flat angles C4'-P-C4' energy: -21.738
flat angles P-C4'-P energy: -13.577
tors. eta vs tors. theta energy: -21.736
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 58
Temperature: 1.050000
Total energy: -274.132496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.132496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.132496 (E_RNA)
where:
Base-Base interactions energy: -175.713
where: short stacking energy: -79.333
Base-Backbone interact. energy: -0.002
local terms energy: -98.416930
where:
bonds (distance) C4'-P energy: -17.998
bonds (distance) P-C4' energy: -22.604
flat angles C4'-P-C4' energy: -20.563
flat angles P-C4'-P energy: -12.257
tors. eta vs tors. theta energy: -24.996
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 58
Temperature: 1.100000
Total energy: -262.203928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.203928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.203928 (E_RNA)
where:
Base-Base interactions energy: -170.509
where: short stacking energy: -74.053
Base-Backbone interact. energy: -0.280
local terms energy: -91.414519
where:
bonds (distance) C4'-P energy: -20.548
bonds (distance) P-C4' energy: -16.838
flat angles C4'-P-C4' energy: -21.390
flat angles P-C4'-P energy: -10.294
tors. eta vs tors. theta energy: -22.345
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 58
Temperature: 1.150000
Total energy: -283.499131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.499131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.499131 (E_RNA)
where:
Base-Base interactions energy: -191.152
where: short stacking energy: -88.780
Base-Backbone interact. energy: -0.635
local terms energy: -91.712588
where:
bonds (distance) C4'-P energy: -16.647
bonds (distance) P-C4' energy: -17.558
flat angles C4'-P-C4' energy: -20.085
flat angles P-C4'-P energy: -10.811
tors. eta vs tors. theta energy: -26.612
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 58
Temperature: 1.200000
Total energy: -201.873413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.873413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.873413 (E_RNA)
where:
Base-Base interactions energy: -129.273
where: short stacking energy: -54.189
Base-Backbone interact. energy: -0.054
local terms energy: -72.546661
where:
bonds (distance) C4'-P energy: -14.916
bonds (distance) P-C4' energy: -18.588
flat angles C4'-P-C4' energy: -14.086
flat angles P-C4'-P energy: -13.733
tors. eta vs tors. theta energy: -11.223
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 58
Temperature: 1.250000
Total energy: -220.238802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.238802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.238802 (E_RNA)
where:
Base-Base interactions energy: -145.402
where: short stacking energy: -68.952
Base-Backbone interact. energy: 0.495
local terms energy: -75.331715
where:
bonds (distance) C4'-P energy: -20.403
bonds (distance) P-C4' energy: -15.579
flat angles C4'-P-C4' energy: -16.331
flat angles P-C4'-P energy: -9.505
tors. eta vs tors. theta energy: -13.513
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 58
Temperature: 1.300000
Total energy: -112.823042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.823042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.823042 (E_RNA)
where:
Base-Base interactions energy: -47.967
where: short stacking energy: -35.310
Base-Backbone interact. energy: 0.155
local terms energy: -65.011573
where:
bonds (distance) C4'-P energy: -18.937
bonds (distance) P-C4' energy: -20.654
flat angles C4'-P-C4' energy: -14.300
flat angles P-C4'-P energy: -7.513
tors. eta vs tors. theta energy: -3.608
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 58
Temperature: 1.350000
Total energy: -101.756494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.756494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.756494 (E_RNA)
where:
Base-Base interactions energy: -49.878
where: short stacking energy: -48.882
Base-Backbone interact. energy: -0.210
local terms energy: -51.668463
where:
bonds (distance) C4'-P energy: -5.221
bonds (distance) P-C4' energy: -15.543
flat angles C4'-P-C4' energy: -14.359
flat angles P-C4'-P energy: -12.381
tors. eta vs tors. theta energy: -4.164
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 59
Temperature: 0.900000
Total energy: -323.267666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.267666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.267666 (E_RNA)
where:
Base-Base interactions energy: -227.335
where: short stacking energy: -82.577
Base-Backbone interact. energy: -0.550
local terms energy: -95.383439
where:
bonds (distance) C4'-P energy: -16.032
bonds (distance) P-C4' energy: -22.168
flat angles C4'-P-C4' energy: -17.481
flat angles P-C4'-P energy: -13.916
tors. eta vs tors. theta energy: -25.788
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 59
Temperature: 0.950000
Total energy: -295.274614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.274614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.274614 (E_RNA)
where:
Base-Base interactions energy: -194.385
where: short stacking energy: -82.949
Base-Backbone interact. energy: -1.905
local terms energy: -98.985067
where:
bonds (distance) C4'-P energy: -21.946
bonds (distance) P-C4' energy: -22.041
flat angles C4'-P-C4' energy: -17.158
flat angles P-C4'-P energy: -17.294
tors. eta vs tors. theta energy: -20.546
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 59
Temperature: 1.000000
Total energy: -276.232870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.232870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.232870 (E_RNA)
where:
Base-Base interactions energy: -176.007
where: short stacking energy: -97.526
Base-Backbone interact. energy: -0.041
local terms energy: -100.184383
where:
bonds (distance) C4'-P energy: -19.472
bonds (distance) P-C4' energy: -21.174
flat angles C4'-P-C4' energy: -21.120
flat angles P-C4'-P energy: -13.087
tors. eta vs tors. theta energy: -25.331
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 59
Temperature: 1.050000
Total energy: -247.697360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.697360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.697360 (E_RNA)
where:
Base-Base interactions energy: -156.610
where: short stacking energy: -79.459
Base-Backbone interact. energy: -0.097
local terms energy: -90.990382
where:
bonds (distance) C4'-P energy: -20.821
bonds (distance) P-C4' energy: -18.339
flat angles C4'-P-C4' energy: -19.786
flat angles P-C4'-P energy: -16.135
tors. eta vs tors. theta energy: -15.910
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 59
Temperature: 1.100000
Total energy: -260.331608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.331608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.331608 (E_RNA)
where:
Base-Base interactions energy: -176.726
where: short stacking energy: -74.280
Base-Backbone interact. energy: -0.617
local terms energy: -82.988562
where:
bonds (distance) C4'-P energy: -14.463
bonds (distance) P-C4' energy: -19.284
flat angles C4'-P-C4' energy: -19.422
flat angles P-C4'-P energy: -11.133
tors. eta vs tors. theta energy: -18.687
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 59
Temperature: 1.150000
Total energy: -201.491375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.491375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.491375 (E_RNA)
where:
Base-Base interactions energy: -128.710
where: short stacking energy: -43.769
Base-Backbone interact. energy: -0.237
local terms energy: -72.544204
where:
bonds (distance) C4'-P energy: -16.585
bonds (distance) P-C4' energy: -19.009
flat angles C4'-P-C4' energy: -21.160
flat angles P-C4'-P energy: -5.516
tors. eta vs tors. theta energy: -10.274
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 59
Temperature: 1.200000
Total energy: -262.518236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.518236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.518236 (E_RNA)
where:
Base-Base interactions energy: -174.983
where: short stacking energy: -84.343
Base-Backbone interact. energy: -0.425
local terms energy: -87.110339
where:
bonds (distance) C4'-P energy: -15.495
bonds (distance) P-C4' energy: -16.021
flat angles C4'-P-C4' energy: -20.904
flat angles P-C4'-P energy: -10.214
tors. eta vs tors. theta energy: -24.477
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 59
Temperature: 1.250000
Total energy: -210.540470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.540470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.540470 (E_RNA)
where:
Base-Base interactions energy: -147.130
where: short stacking energy: -58.458
Base-Backbone interact. energy: 0.026
local terms energy: -63.435519
where:
bonds (distance) C4'-P energy: -13.419
bonds (distance) P-C4' energy: -18.423
flat angles C4'-P-C4' energy: -12.784
flat angles P-C4'-P energy: -8.391
tors. eta vs tors. theta energy: -10.418
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 59
Temperature: 1.300000
Total energy: -113.540163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.540163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.540163 (E_RNA)
where:
Base-Base interactions energy: -50.228
where: short stacking energy: -50.228
Base-Backbone interact. energy: 1.892
local terms energy: -65.204008
where:
bonds (distance) C4'-P energy: -10.931
bonds (distance) P-C4' energy: -19.461
flat angles C4'-P-C4' energy: -15.184
flat angles P-C4'-P energy: -7.775
tors. eta vs tors. theta energy: -11.854
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 59
Temperature: 1.350000
Total energy: -111.752568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.752568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.752568 (E_RNA)
where:
Base-Base interactions energy: -55.221
where: short stacking energy: -40.433
Base-Backbone interact. energy: -0.029
local terms energy: -56.502370
where:
bonds (distance) C4'-P energy: -15.319
bonds (distance) P-C4' energy: -19.180
flat angles C4'-P-C4' energy: -16.301
flat angles P-C4'-P energy: -4.747
tors. eta vs tors. theta energy: -0.955
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 60
Temperature: 0.900000
Total energy: -330.307820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.307820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.307820 (E_RNA)
where:
Base-Base interactions energy: -230.623
where: short stacking energy: -93.040
Base-Backbone interact. energy: -0.243
local terms energy: -99.442001
where:
bonds (distance) C4'-P energy: -18.659
bonds (distance) P-C4' energy: -20.778
flat angles C4'-P-C4' energy: -18.948
flat angles P-C4'-P energy: -17.894
tors. eta vs tors. theta energy: -23.163
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 60
Temperature: 0.950000
Total energy: -302.408337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.408337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.408337 (E_RNA)
where:
Base-Base interactions energy: -212.549
where: short stacking energy: -97.459
Base-Backbone interact. energy: 0.092
local terms energy: -89.950934
where:
bonds (distance) C4'-P energy: -15.564
bonds (distance) P-C4' energy: -21.425
flat angles C4'-P-C4' energy: -22.335
flat angles P-C4'-P energy: -7.259
tors. eta vs tors. theta energy: -23.368
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 60
Temperature: 1.000000
Total energy: -279.883134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.883134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.883134 (E_RNA)
where:
Base-Base interactions energy: -179.651
where: short stacking energy: -98.660
Base-Backbone interact. energy: -0.028
local terms energy: -100.203900
where:
bonds (distance) C4'-P energy: -18.209
bonds (distance) P-C4' energy: -19.408
flat angles C4'-P-C4' energy: -19.898
flat angles P-C4'-P energy: -13.175
tors. eta vs tors. theta energy: -29.514
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 60
Temperature: 1.050000
Total energy: -265.182143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.182143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.182143 (E_RNA)
where:
Base-Base interactions energy: -175.613
where: short stacking energy: -78.314
Base-Backbone interact. energy: -0.138
local terms energy: -89.431304
where:
bonds (distance) C4'-P energy: -17.315
bonds (distance) P-C4' energy: -15.232
flat angles C4'-P-C4' energy: -21.705
flat angles P-C4'-P energy: -13.003
tors. eta vs tors. theta energy: -22.176
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 60
Temperature: 1.100000
Total energy: -255.513053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.513053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.513053 (E_RNA)
where:
Base-Base interactions energy: -171.334
where: short stacking energy: -83.051
Base-Backbone interact. energy: -0.977
local terms energy: -83.202491
where:
bonds (distance) C4'-P energy: -16.603
bonds (distance) P-C4' energy: -15.240
flat angles C4'-P-C4' energy: -20.092
flat angles P-C4'-P energy: -13.250
tors. eta vs tors. theta energy: -18.018
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 60
Temperature: 1.150000
Total energy: -198.549909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.549909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.549909 (E_RNA)
where:
Base-Base interactions energy: -130.798
where: short stacking energy: -57.531
Base-Backbone interact. energy: -1.414
local terms energy: -66.337720
where:
bonds (distance) C4'-P energy: -15.656
bonds (distance) P-C4' energy: -13.530
flat angles C4'-P-C4' energy: -17.327
flat angles P-C4'-P energy: -10.648
tors. eta vs tors. theta energy: -9.177
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 60
Temperature: 1.200000
Total energy: -216.076100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.076100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.076100 (E_RNA)
where:
Base-Base interactions energy: -141.906
where: short stacking energy: -61.825
Base-Backbone interact. energy: -0.165
local terms energy: -74.005534
where:
bonds (distance) C4'-P energy: -14.347
bonds (distance) P-C4' energy: -12.377
flat angles C4'-P-C4' energy: -21.058
flat angles P-C4'-P energy: -16.079
tors. eta vs tors. theta energy: -10.144
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 60
Temperature: 1.250000
Total energy: -225.079035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.079035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.079035 (E_RNA)
where:
Base-Base interactions energy: -154.120
where: short stacking energy: -64.230
Base-Backbone interact. energy: -0.342
local terms energy: -70.616930
where:
bonds (distance) C4'-P energy: -12.011
bonds (distance) P-C4' energy: -18.026
flat angles C4'-P-C4' energy: -16.820
flat angles P-C4'-P energy: -9.535
tors. eta vs tors. theta energy: -14.224
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 60
Temperature: 1.300000
Total energy: -104.586106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.586106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.586106 (E_RNA)
where:
Base-Base interactions energy: -36.396
where: short stacking energy: -36.396
Base-Backbone interact. energy: -0.861
local terms energy: -67.328776
where:
bonds (distance) C4'-P energy: -12.409
bonds (distance) P-C4' energy: -17.413
flat angles C4'-P-C4' energy: -16.432
flat angles P-C4'-P energy: -15.528
tors. eta vs tors. theta energy: -5.548
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 60
Temperature: 1.350000
Total energy: -104.783207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.783207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.783207 (E_RNA)
where:
Base-Base interactions energy: -43.413
where: short stacking energy: -43.413
Base-Backbone interact. energy: -0.239
local terms energy: -61.130790
where:
bonds (distance) C4'-P energy: -11.216
bonds (distance) P-C4' energy: -19.496
flat angles C4'-P-C4' energy: -16.799
flat angles P-C4'-P energy: -10.274
tors. eta vs tors. theta energy: -3.346
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 61
Temperature: 0.900000
Total energy: -331.529924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.529924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.529924 (E_RNA)
where:
Base-Base interactions energy: -236.178
where: short stacking energy: -91.751
Base-Backbone interact. energy: -0.105
local terms energy: -95.246764
where:
bonds (distance) C4'-P energy: -19.799
bonds (distance) P-C4' energy: -21.955
flat angles C4'-P-C4' energy: -15.627
flat angles P-C4'-P energy: -13.100
tors. eta vs tors. theta energy: -24.766
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 61
Temperature: 0.950000
Total energy: -309.115439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.115439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.115439 (E_RNA)
where:
Base-Base interactions energy: -212.386
where: short stacking energy: -94.312
Base-Backbone interact. energy: -0.928
local terms energy: -95.802152
where:
bonds (distance) C4'-P energy: -22.865
bonds (distance) P-C4' energy: -22.008
flat angles C4'-P-C4' energy: -18.683
flat angles P-C4'-P energy: -12.766
tors. eta vs tors. theta energy: -19.480
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 61
Temperature: 1.000000
Total energy: -277.147098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.147098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.147098 (E_RNA)
where:
Base-Base interactions energy: -179.210
where: short stacking energy: -79.525
Base-Backbone interact. energy: -0.291
local terms energy: -97.645809
where:
bonds (distance) C4'-P energy: -20.510
bonds (distance) P-C4' energy: -19.677
flat angles C4'-P-C4' energy: -20.399
flat angles P-C4'-P energy: -13.994
tors. eta vs tors. theta energy: -23.066
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 61
Temperature: 1.050000
Total energy: -281.206999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.206999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.206999 (E_RNA)
where:
Base-Base interactions energy: -182.911
where: short stacking energy: -84.496
Base-Backbone interact. energy: -0.228
local terms energy: -98.068551
where:
bonds (distance) C4'-P energy: -16.739
bonds (distance) P-C4' energy: -21.855
flat angles C4'-P-C4' energy: -23.231
flat angles P-C4'-P energy: -12.728
tors. eta vs tors. theta energy: -23.517
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 61
Temperature: 1.100000
Total energy: -250.091406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.091406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.091406 (E_RNA)
where:
Base-Base interactions energy: -166.214
where: short stacking energy: -70.350
Base-Backbone interact. energy: -0.520
local terms energy: -83.356686
where:
bonds (distance) C4'-P energy: -19.646
bonds (distance) P-C4' energy: -17.504
flat angles C4'-P-C4' energy: -21.624
flat angles P-C4'-P energy: -15.652
tors. eta vs tors. theta energy: -8.932
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 61
Temperature: 1.150000
Total energy: -239.949636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.949636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.949636 (E_RNA)
where:
Base-Base interactions energy: -167.447
where: short stacking energy: -64.931
Base-Backbone interact. energy: -0.368
local terms energy: -72.134277
where:
bonds (distance) C4'-P energy: -14.647
bonds (distance) P-C4' energy: -19.922
flat angles C4'-P-C4' energy: -11.629
flat angles P-C4'-P energy: -9.507
tors. eta vs tors. theta energy: -16.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 61
Temperature: 1.200000
Total energy: -192.210231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.210231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.210231 (E_RNA)
where:
Base-Base interactions energy: -128.176
where: short stacking energy: -61.104
Base-Backbone interact. energy: -0.194
local terms energy: -63.840454
where:
bonds (distance) C4'-P energy: -19.211
bonds (distance) P-C4' energy: -14.889
flat angles C4'-P-C4' energy: -14.292
flat angles P-C4'-P energy: -8.983
tors. eta vs tors. theta energy: -6.464
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 61
Temperature: 1.250000
Total energy: -236.892345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.892345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.892345 (E_RNA)
where:
Base-Base interactions energy: -153.883
where: short stacking energy: -70.853
Base-Backbone interact. energy: -1.318
local terms energy: -81.691568
where:
bonds (distance) C4'-P energy: -16.048
bonds (distance) P-C4' energy: -20.635
flat angles C4'-P-C4' energy: -13.908
flat angles P-C4'-P energy: -14.409
tors. eta vs tors. theta energy: -16.692
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 61
Temperature: 1.300000
Total energy: -107.920837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.920837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.920837 (E_RNA)
where:
Base-Base interactions energy: -46.914
where: short stacking energy: -46.914
Base-Backbone interact. energy: -0.272
local terms energy: -60.735334
where:
bonds (distance) C4'-P energy: -14.857
bonds (distance) P-C4' energy: -14.934
flat angles C4'-P-C4' energy: -16.327
flat angles P-C4'-P energy: -7.166
tors. eta vs tors. theta energy: -7.451
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 61
Temperature: 1.350000
Total energy: -98.306565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.306565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.306565 (E_RNA)
where:
Base-Base interactions energy: -35.482
where: short stacking energy: -35.482
Base-Backbone interact. energy: -0.130
local terms energy: -62.694696
where:
bonds (distance) C4'-P energy: -20.299
bonds (distance) P-C4' energy: -19.907
flat angles C4'-P-C4' energy: -9.066
flat angles P-C4'-P energy: -6.830
tors. eta vs tors. theta energy: -6.593
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 62
Temperature: 0.900000
Total energy: -329.850897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.850897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.850897 (E_RNA)
where:
Base-Base interactions energy: -232.715
where: short stacking energy: -94.145
Base-Backbone interact. energy: -0.310
local terms energy: -96.826085
where:
bonds (distance) C4'-P energy: -19.136
bonds (distance) P-C4' energy: -19.107
flat angles C4'-P-C4' energy: -18.331
flat angles P-C4'-P energy: -17.555
tors. eta vs tors. theta energy: -22.697
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 62
Temperature: 0.950000
Total energy: -301.531305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.531305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.531305 (E_RNA)
where:
Base-Base interactions energy: -208.245
where: short stacking energy: -103.715
Base-Backbone interact. energy: -0.752
local terms energy: -92.534390
where:
bonds (distance) C4'-P energy: -20.171
bonds (distance) P-C4' energy: -19.421
flat angles C4'-P-C4' energy: -17.082
flat angles P-C4'-P energy: -9.379
tors. eta vs tors. theta energy: -26.481
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 62
Temperature: 1.000000
Total energy: -274.042031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.042031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.042031 (E_RNA)
where:
Base-Base interactions energy: -190.820
where: short stacking energy: -87.606
Base-Backbone interact. energy: -1.214
local terms energy: -82.008509
where:
bonds (distance) C4'-P energy: -17.753
bonds (distance) P-C4' energy: -17.637
flat angles C4'-P-C4' energy: -17.996
flat angles P-C4'-P energy: -9.145
tors. eta vs tors. theta energy: -19.477
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 62
Temperature: 1.050000
Total energy: -260.492555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.492555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.492555 (E_RNA)
where:
Base-Base interactions energy: -178.176
where: short stacking energy: -75.140
Base-Backbone interact. energy: 1.215
local terms energy: -83.531357
where:
bonds (distance) C4'-P energy: -20.166
bonds (distance) P-C4' energy: -20.260
flat angles C4'-P-C4' energy: -15.234
flat angles P-C4'-P energy: -12.436
tors. eta vs tors. theta energy: -15.435
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 62
Temperature: 1.100000
Total energy: -277.387282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.387282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.387282 (E_RNA)
where:
Base-Base interactions energy: -178.531
where: short stacking energy: -79.993
Base-Backbone interact. energy: -0.173
local terms energy: -98.682904
where:
bonds (distance) C4'-P energy: -20.842
bonds (distance) P-C4' energy: -20.884
flat angles C4'-P-C4' energy: -21.326
flat angles P-C4'-P energy: -15.885
tors. eta vs tors. theta energy: -19.745
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 62
Temperature: 1.150000
Total energy: -249.413108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.413108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.413108 (E_RNA)
where:
Base-Base interactions energy: -167.395
where: short stacking energy: -70.269
Base-Backbone interact. energy: 0.412
local terms energy: -82.429353
where:
bonds (distance) C4'-P energy: -18.088
bonds (distance) P-C4' energy: -13.901
flat angles C4'-P-C4' energy: -21.098
flat angles P-C4'-P energy: -12.591
tors. eta vs tors. theta energy: -16.751
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 62
Temperature: 1.200000
Total energy: -249.221841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.221841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.221841 (E_RNA)
where:
Base-Base interactions energy: -163.985
where: short stacking energy: -68.383
Base-Backbone interact. energy: -0.943
local terms energy: -84.293246
where:
bonds (distance) C4'-P energy: -19.195
bonds (distance) P-C4' energy: -17.024
flat angles C4'-P-C4' energy: -20.027
flat angles P-C4'-P energy: -8.832
tors. eta vs tors. theta energy: -19.215
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 62
Temperature: 1.250000
Total energy: -183.878126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.878126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.878126 (E_RNA)
where:
Base-Base interactions energy: -116.733
where: short stacking energy: -40.980
Base-Backbone interact. energy: -0.334
local terms energy: -66.810469
where:
bonds (distance) C4'-P energy: -21.508
bonds (distance) P-C4' energy: -17.026
flat angles C4'-P-C4' energy: -15.742
flat angles P-C4'-P energy: -9.241
tors. eta vs tors. theta energy: -3.293
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 62
Temperature: 1.300000
Total energy: -126.301117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.301117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.301117 (E_RNA)
where:
Base-Base interactions energy: -56.469
where: short stacking energy: -56.469
Base-Backbone interact. energy: -0.000
local terms energy: -69.831607
where:
bonds (distance) C4'-P energy: -20.395
bonds (distance) P-C4' energy: -16.399
flat angles C4'-P-C4' energy: -17.835
flat angles P-C4'-P energy: -8.819
tors. eta vs tors. theta energy: -6.384
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 62
Temperature: 1.350000
Total energy: -114.352187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.352187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.352187 (E_RNA)
where:
Base-Base interactions energy: -48.240
where: short stacking energy: -46.764
Base-Backbone interact. energy: -0.260
local terms energy: -65.851640
where:
bonds (distance) C4'-P energy: -19.803
bonds (distance) P-C4' energy: -16.121
flat angles C4'-P-C4' energy: -17.777
flat angles P-C4'-P energy: -5.136
tors. eta vs tors. theta energy: -7.015
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 63
Temperature: 0.900000
Total energy: -335.378144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.378144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.378144 (E_RNA)
where:
Base-Base interactions energy: -238.058
where: short stacking energy: -94.501
Base-Backbone interact. energy: -0.853
local terms energy: -96.467621
where:
bonds (distance) C4'-P energy: -20.999
bonds (distance) P-C4' energy: -20.118
flat angles C4'-P-C4' energy: -22.024
flat angles P-C4'-P energy: -8.134
tors. eta vs tors. theta energy: -25.193
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 63
Temperature: 0.950000
Total energy: -289.544071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.544071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.544071 (E_RNA)
where:
Base-Base interactions energy: -187.385
where: short stacking energy: -88.997
Base-Backbone interact. energy: -0.273
local terms energy: -101.885596
where:
bonds (distance) C4'-P energy: -18.892
bonds (distance) P-C4' energy: -17.398
flat angles C4'-P-C4' energy: -21.870
flat angles P-C4'-P energy: -18.383
tors. eta vs tors. theta energy: -25.343
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 63
Temperature: 1.000000
Total energy: -306.513699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.513699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.513699 (E_RNA)
where:
Base-Base interactions energy: -202.709
where: short stacking energy: -91.131
Base-Backbone interact. energy: -0.658
local terms energy: -103.146795
where:
bonds (distance) C4'-P energy: -17.889
bonds (distance) P-C4' energy: -17.975
flat angles C4'-P-C4' energy: -23.214
flat angles P-C4'-P energy: -18.479
tors. eta vs tors. theta energy: -25.590
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 63
Temperature: 1.050000
Total energy: -254.319255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.319255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.319255 (E_RNA)
where:
Base-Base interactions energy: -168.300
where: short stacking energy: -80.094
Base-Backbone interact. energy: -0.102
local terms energy: -85.918197
where:
bonds (distance) C4'-P energy: -12.633
bonds (distance) P-C4' energy: -22.589
flat angles C4'-P-C4' energy: -19.638
flat angles P-C4'-P energy: -13.491
tors. eta vs tors. theta energy: -17.567
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 63
Temperature: 1.100000
Total energy: -249.948869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.948869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.948869 (E_RNA)
where:
Base-Base interactions energy: -156.682
where: short stacking energy: -78.586
Base-Backbone interact. energy: -0.084
local terms energy: -93.182890
where:
bonds (distance) C4'-P energy: -19.348
bonds (distance) P-C4' energy: -20.964
flat angles C4'-P-C4' energy: -16.819
flat angles P-C4'-P energy: -14.734
tors. eta vs tors. theta energy: -21.318
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 63
Temperature: 1.150000
Total energy: -233.686320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.686320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.686320 (E_RNA)
where:
Base-Base interactions energy: -154.870
where: short stacking energy: -76.159
Base-Backbone interact. energy: -0.019
local terms energy: -78.797265
where:
bonds (distance) C4'-P energy: -16.633
bonds (distance) P-C4' energy: -18.324
flat angles C4'-P-C4' energy: -17.884
flat angles P-C4'-P energy: -10.872
tors. eta vs tors. theta energy: -15.084
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 63
Temperature: 1.200000
Total energy: -235.844693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.844693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.844693 (E_RNA)
where:
Base-Base interactions energy: -154.060
where: short stacking energy: -56.752
Base-Backbone interact. energy: -0.766
local terms energy: -81.018801
where:
bonds (distance) C4'-P energy: -18.177
bonds (distance) P-C4' energy: -16.746
flat angles C4'-P-C4' energy: -19.287
flat angles P-C4'-P energy: -14.639
tors. eta vs tors. theta energy: -12.171
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 63
Temperature: 1.250000
Total energy: -169.628558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.628558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.628558 (E_RNA)
where:
Base-Base interactions energy: -94.308
where: short stacking energy: -59.571
Base-Backbone interact. energy: -0.062
local terms energy: -75.258364
where:
bonds (distance) C4'-P energy: -15.364
bonds (distance) P-C4' energy: -17.296
flat angles C4'-P-C4' energy: -19.193
flat angles P-C4'-P energy: -13.718
tors. eta vs tors. theta energy: -9.687
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 63
Temperature: 1.300000
Total energy: -114.196911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.196911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.196911 (E_RNA)
where:
Base-Base interactions energy: -40.072
where: short stacking energy: -39.893
Base-Backbone interact. energy: -0.500
local terms energy: -73.624160
where:
bonds (distance) C4'-P energy: -20.590
bonds (distance) P-C4' energy: -19.259
flat angles C4'-P-C4' energy: -13.052
flat angles P-C4'-P energy: -15.296
tors. eta vs tors. theta energy: -5.427
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 63
Temperature: 1.350000
Total energy: -114.726137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.726137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.726137 (E_RNA)
where:
Base-Base interactions energy: -55.391
where: short stacking energy: -54.467
Base-Backbone interact. energy: 1.157
local terms energy: -60.492145
where:
bonds (distance) C4'-P energy: -12.160
bonds (distance) P-C4' energy: -15.760
flat angles C4'-P-C4' energy: -15.383
flat angles P-C4'-P energy: -5.719
tors. eta vs tors. theta energy: -11.470
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 64
Temperature: 0.900000
Total energy: -330.384824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.384824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.384824 (E_RNA)
where:
Base-Base interactions energy: -240.030
where: short stacking energy: -97.659
Base-Backbone interact. energy: -0.404
local terms energy: -89.950747
where:
bonds (distance) C4'-P energy: -17.439
bonds (distance) P-C4' energy: -19.428
flat angles C4'-P-C4' energy: -20.023
flat angles P-C4'-P energy: -11.411
tors. eta vs tors. theta energy: -21.650
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 64
Temperature: 0.950000
Total energy: -283.967962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.967962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.967962 (E_RNA)
where:
Base-Base interactions energy: -184.391
where: short stacking energy: -90.415
Base-Backbone interact. energy: -1.323
local terms energy: -98.254114
where:
bonds (distance) C4'-P energy: -17.608
bonds (distance) P-C4' energy: -18.666
flat angles C4'-P-C4' energy: -21.536
flat angles P-C4'-P energy: -17.142
tors. eta vs tors. theta energy: -23.302
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 64
Temperature: 1.000000
Total energy: -305.635090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.635090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.635090 (E_RNA)
where:
Base-Base interactions energy: -211.059
where: short stacking energy: -98.576
Base-Backbone interact. energy: -0.714
local terms energy: -93.861989
where:
bonds (distance) C4'-P energy: -17.158
bonds (distance) P-C4' energy: -21.207
flat angles C4'-P-C4' energy: -14.268
flat angles P-C4'-P energy: -14.774
tors. eta vs tors. theta energy: -26.455
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 64
Temperature: 1.050000
Total energy: -255.842335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.842335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.842335 (E_RNA)
where:
Base-Base interactions energy: -170.942
where: short stacking energy: -73.597
Base-Backbone interact. energy: -0.381
local terms energy: -84.519717
where:
bonds (distance) C4'-P energy: -17.394
bonds (distance) P-C4' energy: -16.966
flat angles C4'-P-C4' energy: -21.729
flat angles P-C4'-P energy: -9.107
tors. eta vs tors. theta energy: -19.325
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 64
Temperature: 1.100000
Total energy: -240.514937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.514937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.514937 (E_RNA)
where:
Base-Base interactions energy: -164.487
where: short stacking energy: -64.905
Base-Backbone interact. energy: -0.612
local terms energy: -75.416099
where:
bonds (distance) C4'-P energy: -15.015
bonds (distance) P-C4' energy: -18.954
flat angles C4'-P-C4' energy: -21.983
flat angles P-C4'-P energy: -5.670
tors. eta vs tors. theta energy: -13.794
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 64
Temperature: 1.150000
Total energy: -248.261274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.261274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.261274 (E_RNA)
where:
Base-Base interactions energy: -157.068
where: short stacking energy: -74.394
Base-Backbone interact. energy: -0.028
local terms energy: -91.165951
where:
bonds (distance) C4'-P energy: -17.991
bonds (distance) P-C4' energy: -20.483
flat angles C4'-P-C4' energy: -17.968
flat angles P-C4'-P energy: -15.216
tors. eta vs tors. theta energy: -19.508
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 64
Temperature: 1.200000
Total energy: -257.658488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.658488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.658488 (E_RNA)
where:
Base-Base interactions energy: -167.643
where: short stacking energy: -85.086
Base-Backbone interact. energy: -0.926
local terms energy: -89.089687
where:
bonds (distance) C4'-P energy: -10.706
bonds (distance) P-C4' energy: -21.891
flat angles C4'-P-C4' energy: -15.265
flat angles P-C4'-P energy: -14.207
tors. eta vs tors. theta energy: -27.020
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 64
Temperature: 1.250000
Total energy: -129.747071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.747071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.747071 (E_RNA)
where:
Base-Base interactions energy: -67.098
where: short stacking energy: -56.250
Base-Backbone interact. energy: 4.538
local terms energy: -67.186515
where:
bonds (distance) C4'-P energy: -15.726
bonds (distance) P-C4' energy: -15.098
flat angles C4'-P-C4' energy: -18.958
flat angles P-C4'-P energy: -9.059
tors. eta vs tors. theta energy: -8.345
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 64
Temperature: 1.300000
Total energy: -111.995706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.995706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.995706 (E_RNA)
where:
Base-Base interactions energy: -48.592
where: short stacking energy: -45.356
Base-Backbone interact. energy: -0.167
local terms energy: -63.237461
where:
bonds (distance) C4'-P energy: -17.890
bonds (distance) P-C4' energy: -11.545
flat angles C4'-P-C4' energy: -16.857
flat angles P-C4'-P energy: -13.317
tors. eta vs tors. theta energy: -3.628
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 64
Temperature: 1.350000
Total energy: -101.701591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.701591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.701591 (E_RNA)
where:
Base-Base interactions energy: -47.719
where: short stacking energy: -28.727
Base-Backbone interact. energy: -0.255
local terms energy: -53.726955
where:
bonds (distance) C4'-P energy: -12.098
bonds (distance) P-C4' energy: -18.856
flat angles C4'-P-C4' energy: -13.563
flat angles P-C4'-P energy: -3.955
tors. eta vs tors. theta energy: -5.255
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 65
Temperature: 0.900000
Total energy: -333.738239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.738239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.738239 (E_RNA)
where:
Base-Base interactions energy: -238.239
where: short stacking energy: -93.796
Base-Backbone interact. energy: -0.533
local terms energy: -94.966098
where:
bonds (distance) C4'-P energy: -19.376
bonds (distance) P-C4' energy: -20.195
flat angles C4'-P-C4' energy: -18.316
flat angles P-C4'-P energy: -13.807
tors. eta vs tors. theta energy: -23.272
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 65
Temperature: 0.950000
Total energy: -311.580626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.580626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.580626 (E_RNA)
where:
Base-Base interactions energy: -211.634
where: short stacking energy: -98.012
Base-Backbone interact. energy: -0.094
local terms energy: -99.852629
where:
bonds (distance) C4'-P energy: -17.562
bonds (distance) P-C4' energy: -21.836
flat angles C4'-P-C4' energy: -21.558
flat angles P-C4'-P energy: -14.882
tors. eta vs tors. theta energy: -24.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 65
Temperature: 1.000000
Total energy: -275.645383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.645383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.645383 (E_RNA)
where:
Base-Base interactions energy: -182.434
where: short stacking energy: -82.959
Base-Backbone interact. energy: -0.165
local terms energy: -93.046518
where:
bonds (distance) C4'-P energy: -17.948
bonds (distance) P-C4' energy: -18.678
flat angles C4'-P-C4' energy: -19.780
flat angles P-C4'-P energy: -14.260
tors. eta vs tors. theta energy: -22.382
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 65
Temperature: 1.050000
Total energy: -265.924097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.924097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.924097 (E_RNA)
where:
Base-Base interactions energy: -173.532
where: short stacking energy: -90.402
Base-Backbone interact. energy: 0.639
local terms energy: -93.030753
where:
bonds (distance) C4'-P energy: -17.369
bonds (distance) P-C4' energy: -19.332
flat angles C4'-P-C4' energy: -20.366
flat angles P-C4'-P energy: -14.306
tors. eta vs tors. theta energy: -21.658
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 65
Temperature: 1.100000
Total energy: -245.874705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.874705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.874705 (E_RNA)
where:
Base-Base interactions energy: -160.492
where: short stacking energy: -62.876
Base-Backbone interact. energy: -0.988
local terms energy: -84.394984
where:
bonds (distance) C4'-P energy: -18.238
bonds (distance) P-C4' energy: -21.059
flat angles C4'-P-C4' energy: -17.200
flat angles P-C4'-P energy: -12.961
tors. eta vs tors. theta energy: -14.938
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 65
Temperature: 1.150000
Total energy: -230.082674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.082674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.082674 (E_RNA)
where:
Base-Base interactions energy: -152.473
where: short stacking energy: -60.812
Base-Backbone interact. energy: 1.576
local terms energy: -79.186470
where:
bonds (distance) C4'-P energy: -19.580
bonds (distance) P-C4' energy: -18.550
flat angles C4'-P-C4' energy: -23.510
flat angles P-C4'-P energy: -4.122
tors. eta vs tors. theta energy: -13.425
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 65
Temperature: 1.200000
Total energy: -251.444033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.444033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.444033 (E_RNA)
where:
Base-Base interactions energy: -161.406
where: short stacking energy: -82.012
Base-Backbone interact. energy: -0.072
local terms energy: -89.965931
where:
bonds (distance) C4'-P energy: -22.158
bonds (distance) P-C4' energy: -17.585
flat angles C4'-P-C4' energy: -18.306
flat angles P-C4'-P energy: -10.318
tors. eta vs tors. theta energy: -21.598
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 65
Temperature: 1.250000
Total energy: -124.436006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.436006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.436006 (E_RNA)
where:
Base-Base interactions energy: -54.182
where: short stacking energy: -51.759
Base-Backbone interact. energy: -0.150
local terms energy: -70.104067
where:
bonds (distance) C4'-P energy: -14.606
bonds (distance) P-C4' energy: -16.674
flat angles C4'-P-C4' energy: -16.251
flat angles P-C4'-P energy: -16.114
tors. eta vs tors. theta energy: -6.458
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 65
Temperature: 1.300000
Total energy: -130.901730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.901730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.901730 (E_RNA)
where:
Base-Base interactions energy: -72.481
where: short stacking energy: -37.180
Base-Backbone interact. energy: 0.470
local terms energy: -58.891578
where:
bonds (distance) C4'-P energy: -13.407
bonds (distance) P-C4' energy: -20.802
flat angles C4'-P-C4' energy: -13.649
flat angles P-C4'-P energy: -8.387
tors. eta vs tors. theta energy: -2.648
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 65
Temperature: 1.350000
Total energy: -107.208145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.208145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.208145 (E_RNA)
where:
Base-Base interactions energy: -46.533
where: short stacking energy: -21.459
Base-Backbone interact. energy: -1.888
local terms energy: -58.787469
where:
bonds (distance) C4'-P energy: -14.814
bonds (distance) P-C4' energy: -17.562
flat angles C4'-P-C4' energy: -17.132
flat angles P-C4'-P energy: -11.219
tors. eta vs tors. theta energy: 1.939
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 66
Temperature: 0.900000
Total energy: -310.035947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.035947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.035947 (E_RNA)
where:
Base-Base interactions energy: -214.056
where: short stacking energy: -100.838
Base-Backbone interact. energy: -1.662
local terms energy: -94.317508
where:
bonds (distance) C4'-P energy: -19.716
bonds (distance) P-C4' energy: -18.421
flat angles C4'-P-C4' energy: -18.131
flat angles P-C4'-P energy: -11.726
tors. eta vs tors. theta energy: -26.324
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 66
Temperature: 0.950000
Total energy: -328.567950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.567950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.567950 (E_RNA)
where:
Base-Base interactions energy: -226.066
where: short stacking energy: -85.917
Base-Backbone interact. energy: -0.057
local terms energy: -102.444336
where:
bonds (distance) C4'-P energy: -19.878
bonds (distance) P-C4' energy: -23.068
flat angles C4'-P-C4' energy: -20.956
flat angles P-C4'-P energy: -14.954
tors. eta vs tors. theta energy: -23.587
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 66
Temperature: 1.000000
Total energy: -278.491602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.491602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.491602 (E_RNA)
where:
Base-Base interactions energy: -182.149
where: short stacking energy: -93.634
Base-Backbone interact. energy: 2.787
local terms energy: -99.129392
where:
bonds (distance) C4'-P energy: -22.054
bonds (distance) P-C4' energy: -18.573
flat angles C4'-P-C4' energy: -19.433
flat angles P-C4'-P energy: -17.230
tors. eta vs tors. theta energy: -21.840
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 66
Temperature: 1.050000
Total energy: -253.584778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.584778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.584778 (E_RNA)
where:
Base-Base interactions energy: -168.630
where: short stacking energy: -84.285
Base-Backbone interact. energy: -1.120
local terms energy: -83.834780
where:
bonds (distance) C4'-P energy: -16.436
bonds (distance) P-C4' energy: -19.369
flat angles C4'-P-C4' energy: -17.654
flat angles P-C4'-P energy: -16.292
tors. eta vs tors. theta energy: -14.084
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 66
Temperature: 1.100000
Total energy: -237.966703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.966703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.966703 (E_RNA)
where:
Base-Base interactions energy: -158.641
where: short stacking energy: -68.213
Base-Backbone interact. energy: -0.277
local terms energy: -79.049502
where:
bonds (distance) C4'-P energy: -15.795
bonds (distance) P-C4' energy: -21.557
flat angles C4'-P-C4' energy: -19.709
flat angles P-C4'-P energy: -9.503
tors. eta vs tors. theta energy: -12.486
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 66
Temperature: 1.150000
Total energy: -243.396680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.396680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.396680 (E_RNA)
where:
Base-Base interactions energy: -168.267
where: short stacking energy: -75.354
Base-Backbone interact. energy: -0.169
local terms energy: -74.961202
where:
bonds (distance) C4'-P energy: -8.915
bonds (distance) P-C4' energy: -15.965
flat angles C4'-P-C4' energy: -18.369
flat angles P-C4'-P energy: -14.891
tors. eta vs tors. theta energy: -16.821
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 66
Temperature: 1.200000
Total energy: -220.411268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.411268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.411268 (E_RNA)
where:
Base-Base interactions energy: -139.178
where: short stacking energy: -65.554
Base-Backbone interact. energy: -0.185
local terms energy: -81.047689
where:
bonds (distance) C4'-P energy: -17.927
bonds (distance) P-C4' energy: -19.890
flat angles C4'-P-C4' energy: -15.101
flat angles P-C4'-P energy: -14.620
tors. eta vs tors. theta energy: -13.510
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 66
Temperature: 1.250000
Total energy: -102.647706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.647706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.647706 (E_RNA)
where:
Base-Base interactions energy: -39.308
where: short stacking energy: -35.189
Base-Backbone interact. energy: -0.206
local terms energy: -63.133232
where:
bonds (distance) C4'-P energy: -15.172
bonds (distance) P-C4' energy: -21.765
flat angles C4'-P-C4' energy: -13.762
flat angles P-C4'-P energy: -10.375
tors. eta vs tors. theta energy: -2.059
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 66
Temperature: 1.300000
Total energy: -130.125346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.125346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.125346 (E_RNA)
where:
Base-Base interactions energy: -67.644
where: short stacking energy: -39.472
Base-Backbone interact. energy: -0.204
local terms energy: -62.276617
where:
bonds (distance) C4'-P energy: -20.014
bonds (distance) P-C4' energy: -16.158
flat angles C4'-P-C4' energy: -15.204
flat angles P-C4'-P energy: -4.088
tors. eta vs tors. theta energy: -6.813
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 66
Temperature: 1.350000
Total energy: -106.414239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.414239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.414239 (E_RNA)
where:
Base-Base interactions energy: -40.702
where: short stacking energy: -25.655
Base-Backbone interact. energy: -0.902
local terms energy: -64.810108
where:
bonds (distance) C4'-P energy: -21.488
bonds (distance) P-C4' energy: -20.139
flat angles C4'-P-C4' energy: -14.630
flat angles P-C4'-P energy: -9.491
tors. eta vs tors. theta energy: 0.938
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 67
Temperature: 0.900000
Total energy: -324.861872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.861872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.861872 (E_RNA)
where:
Base-Base interactions energy: -212.546
where: short stacking energy: -96.904
Base-Backbone interact. energy: -0.334
local terms energy: -111.981628
where:
bonds (distance) C4'-P energy: -24.033
bonds (distance) P-C4' energy: -22.892
flat angles C4'-P-C4' energy: -23.509
flat angles P-C4'-P energy: -14.428
tors. eta vs tors. theta energy: -27.119
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 67
Temperature: 0.950000
Total energy: -332.507926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.507926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.507926 (E_RNA)
where:
Base-Base interactions energy: -235.069
where: short stacking energy: -92.834
Base-Backbone interact. energy: -0.494
local terms energy: -96.944793
where:
bonds (distance) C4'-P energy: -18.850
bonds (distance) P-C4' energy: -20.277
flat angles C4'-P-C4' energy: -17.325
flat angles P-C4'-P energy: -16.419
tors. eta vs tors. theta energy: -24.074
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 67
Temperature: 1.000000
Total energy: -273.384585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.384585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.384585 (E_RNA)
where:
Base-Base interactions energy: -179.168
where: short stacking energy: -90.773
Base-Backbone interact. energy: -0.380
local terms energy: -93.835959
where:
bonds (distance) C4'-P energy: -20.014
bonds (distance) P-C4' energy: -22.994
flat angles C4'-P-C4' energy: -18.220
flat angles P-C4'-P energy: -8.578
tors. eta vs tors. theta energy: -24.030
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 67
Temperature: 1.050000
Total energy: -246.658936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.658936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.658936 (E_RNA)
where:
Base-Base interactions energy: -164.592
where: short stacking energy: -67.782
Base-Backbone interact. energy: 0.815
local terms energy: -82.882643
where:
bonds (distance) C4'-P energy: -17.516
bonds (distance) P-C4' energy: -18.667
flat angles C4'-P-C4' energy: -14.927
flat angles P-C4'-P energy: -17.534
tors. eta vs tors. theta energy: -14.239
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 67
Temperature: 1.100000
Total energy: -253.220251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.220251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.220251 (E_RNA)
where:
Base-Base interactions energy: -164.524
where: short stacking energy: -67.504
Base-Backbone interact. energy: -0.136
local terms energy: -88.560363
where:
bonds (distance) C4'-P energy: -19.252
bonds (distance) P-C4' energy: -18.065
flat angles C4'-P-C4' energy: -18.310
flat angles P-C4'-P energy: -14.773
tors. eta vs tors. theta energy: -18.161
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 67
Temperature: 1.150000
Total energy: -231.525294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.525294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.525294 (E_RNA)
where:
Base-Base interactions energy: -148.425
where: short stacking energy: -63.448
Base-Backbone interact. energy: -0.508
local terms energy: -82.592519
where:
bonds (distance) C4'-P energy: -14.667
bonds (distance) P-C4' energy: -18.304
flat angles C4'-P-C4' energy: -19.855
flat angles P-C4'-P energy: -15.265
tors. eta vs tors. theta energy: -14.501
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 67
Temperature: 1.200000
Total energy: -236.659826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.659826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.659826 (E_RNA)
where:
Base-Base interactions energy: -157.252
where: short stacking energy: -81.416
Base-Backbone interact. energy: -0.140
local terms energy: -79.268641
where:
bonds (distance) C4'-P energy: -14.122
bonds (distance) P-C4' energy: -20.594
flat angles C4'-P-C4' energy: -19.877
flat angles P-C4'-P energy: -8.426
tors. eta vs tors. theta energy: -16.250
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 67
Temperature: 1.250000
Total energy: -112.380923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.380923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.380923 (E_RNA)
where:
Base-Base interactions energy: -53.829
where: short stacking energy: -37.331
Base-Backbone interact. energy: -0.256
local terms energy: -58.296303
where:
bonds (distance) C4'-P energy: -16.699
bonds (distance) P-C4' energy: -20.058
flat angles C4'-P-C4' energy: -15.978
flat angles P-C4'-P energy: -3.900
tors. eta vs tors. theta energy: -1.662
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 67
Temperature: 1.300000
Total energy: -127.647920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.647920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.647920 (E_RNA)
where:
Base-Base interactions energy: -63.501
where: short stacking energy: -55.005
Base-Backbone interact. energy: -0.277
local terms energy: -63.870605
where:
bonds (distance) C4'-P energy: -12.377
bonds (distance) P-C4' energy: -18.979
flat angles C4'-P-C4' energy: -14.402
flat angles P-C4'-P energy: -12.217
tors. eta vs tors. theta energy: -5.896
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 67
Temperature: 1.350000
Total energy: -103.046324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.046324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.046324 (E_RNA)
where:
Base-Base interactions energy: -38.886
where: short stacking energy: -39.886
Base-Backbone interact. energy: -0.160
local terms energy: -63.999683
where:
bonds (distance) C4'-P energy: -19.369
bonds (distance) P-C4' energy: -15.207
flat angles C4'-P-C4' energy: -11.566
flat angles P-C4'-P energy: -7.846
tors. eta vs tors. theta energy: -10.012
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 68
Temperature: 0.900000
Total energy: -332.550297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.550297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.550297 (E_RNA)
where:
Base-Base interactions energy: -237.996
where: short stacking energy: -93.593
Base-Backbone interact. energy: -0.394
local terms energy: -94.160396
where:
bonds (distance) C4'-P energy: -19.027
bonds (distance) P-C4' energy: -19.555
flat angles C4'-P-C4' energy: -17.261
flat angles P-C4'-P energy: -14.015
tors. eta vs tors. theta energy: -24.303
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 68
Temperature: 0.950000
Total energy: -314.534054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.534054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.534054 (E_RNA)
where:
Base-Base interactions energy: -207.532
where: short stacking energy: -99.450
Base-Backbone interact. energy: -0.711
local terms energy: -106.290910
where:
bonds (distance) C4'-P energy: -20.755
bonds (distance) P-C4' energy: -21.249
flat angles C4'-P-C4' energy: -20.002
flat angles P-C4'-P energy: -16.684
tors. eta vs tors. theta energy: -27.601
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 68
Temperature: 1.000000
Total energy: -266.400832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.400832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.400832 (E_RNA)
where:
Base-Base interactions energy: -170.924
where: short stacking energy: -82.889
Base-Backbone interact. energy: -0.416
local terms energy: -95.060882
where:
bonds (distance) C4'-P energy: -15.981
bonds (distance) P-C4' energy: -20.631
flat angles C4'-P-C4' energy: -16.944
flat angles P-C4'-P energy: -18.659
tors. eta vs tors. theta energy: -22.847
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 68
Temperature: 1.050000
Total energy: -255.213205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.213205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.213205 (E_RNA)
where:
Base-Base interactions energy: -168.316
where: short stacking energy: -74.755
Base-Backbone interact. energy: -0.349
local terms energy: -86.547952
where:
bonds (distance) C4'-P energy: -16.622
bonds (distance) P-C4' energy: -18.747
flat angles C4'-P-C4' energy: -19.290
flat angles P-C4'-P energy: -13.788
tors. eta vs tors. theta energy: -18.100
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 68
Temperature: 1.100000
Total energy: -261.692136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.692136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.692136 (E_RNA)
where:
Base-Base interactions energy: -186.615
where: short stacking energy: -72.521
Base-Backbone interact. energy: -0.011
local terms energy: -75.065906
where:
bonds (distance) C4'-P energy: -14.235
bonds (distance) P-C4' energy: -14.226
flat angles C4'-P-C4' energy: -19.613
flat angles P-C4'-P energy: -13.165
tors. eta vs tors. theta energy: -13.828
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 68
Temperature: 1.150000
Total energy: -241.477481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.477481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.477481 (E_RNA)
where:
Base-Base interactions energy: -153.211
where: short stacking energy: -77.715
Base-Backbone interact. energy: -0.806
local terms energy: -87.460156
where:
bonds (distance) C4'-P energy: -19.330
bonds (distance) P-C4' energy: -20.750
flat angles C4'-P-C4' energy: -18.844
flat angles P-C4'-P energy: -12.304
tors. eta vs tors. theta energy: -16.233
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 68
Temperature: 1.200000
Total energy: -226.183178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.183178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.183178 (E_RNA)
where:
Base-Base interactions energy: -142.817
where: short stacking energy: -62.071
Base-Backbone interact. energy: 0.090
local terms energy: -83.456755
where:
bonds (distance) C4'-P energy: -17.255
bonds (distance) P-C4' energy: -18.301
flat angles C4'-P-C4' energy: -20.086
flat angles P-C4'-P energy: -11.422
tors. eta vs tors. theta energy: -16.393
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 68
Temperature: 1.250000
Total energy: -112.724124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.724124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.724124 (E_RNA)
where:
Base-Base interactions energy: -45.078
where: short stacking energy: -44.339
Base-Backbone interact. energy: -0.124
local terms energy: -67.522245
where:
bonds (distance) C4'-P energy: -17.654
bonds (distance) P-C4' energy: -16.362
flat angles C4'-P-C4' energy: -19.718
flat angles P-C4'-P energy: -6.024
tors. eta vs tors. theta energy: -7.763
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 68
Temperature: 1.300000
Total energy: -106.410749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.410749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.410749 (E_RNA)
where:
Base-Base interactions energy: -40.069
where: short stacking energy: -31.716
Base-Backbone interact. energy: -0.134
local terms energy: -66.208469
where:
bonds (distance) C4'-P energy: -17.314
bonds (distance) P-C4' energy: -19.353
flat angles C4'-P-C4' energy: -16.502
flat angles P-C4'-P energy: -13.464
tors. eta vs tors. theta energy: 0.425
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 68
Temperature: 1.350000
Total energy: -109.895282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.895282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.895282 (E_RNA)
where:
Base-Base interactions energy: -48.115
where: short stacking energy: -45.753
Base-Backbone interact. energy: -0.640
local terms energy: -61.140082
where:
bonds (distance) C4'-P energy: -18.271
bonds (distance) P-C4' energy: -9.175
flat angles C4'-P-C4' energy: -18.097
flat angles P-C4'-P energy: -8.643
tors. eta vs tors. theta energy: -6.955
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 69
Temperature: 0.900000
Total energy: -330.255410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.255410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.255410 (E_RNA)
where:
Base-Base interactions energy: -240.886
where: short stacking energy: -94.374
Base-Backbone interact. energy: -0.290
local terms energy: -89.079623
where:
bonds (distance) C4'-P energy: -13.995
bonds (distance) P-C4' energy: -22.821
flat angles C4'-P-C4' energy: -17.957
flat angles P-C4'-P energy: -11.755
tors. eta vs tors. theta energy: -22.553
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 69
Temperature: 0.950000
Total energy: -310.699390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.699390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.699390 (E_RNA)
where:
Base-Base interactions energy: -205.977
where: short stacking energy: -100.443
Base-Backbone interact. energy: -1.268
local terms energy: -103.454477
where:
bonds (distance) C4'-P energy: -20.321
bonds (distance) P-C4' energy: -21.520
flat angles C4'-P-C4' energy: -20.371
flat angles P-C4'-P energy: -11.353
tors. eta vs tors. theta energy: -29.888
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 69
Temperature: 1.000000
Total energy: -269.528280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.528280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.528280 (E_RNA)
where:
Base-Base interactions energy: -176.988
where: short stacking energy: -76.521
Base-Backbone interact. energy: 0.028
local terms energy: -92.567534
where:
bonds (distance) C4'-P energy: -15.993
bonds (distance) P-C4' energy: -22.207
flat angles C4'-P-C4' energy: -20.586
flat angles P-C4'-P energy: -14.177
tors. eta vs tors. theta energy: -19.605
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 69
Temperature: 1.050000
Total energy: -267.901603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.901603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.901603 (E_RNA)
where:
Base-Base interactions energy: -176.391
where: short stacking energy: -85.781
Base-Backbone interact. energy: -0.291
local terms energy: -91.219467
where:
bonds (distance) C4'-P energy: -14.230
bonds (distance) P-C4' energy: -20.599
flat angles C4'-P-C4' energy: -19.748
flat angles P-C4'-P energy: -14.870
tors. eta vs tors. theta energy: -21.773
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 69
Temperature: 1.100000
Total energy: -251.321729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.321729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.321729 (E_RNA)
where:
Base-Base interactions energy: -172.226
where: short stacking energy: -71.841
Base-Backbone interact. energy: -0.199
local terms energy: -78.897198
where:
bonds (distance) C4'-P energy: -15.053
bonds (distance) P-C4' energy: -20.136
flat angles C4'-P-C4' energy: -13.158
flat angles P-C4'-P energy: -11.752
tors. eta vs tors. theta energy: -18.798
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 69
Temperature: 1.150000
Total energy: -261.092432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.092432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.092432 (E_RNA)
where:
Base-Base interactions energy: -173.405
where: short stacking energy: -76.824
Base-Backbone interact. energy: -0.081
local terms energy: -87.606646
where:
bonds (distance) C4'-P energy: -19.140
bonds (distance) P-C4' energy: -20.534
flat angles C4'-P-C4' energy: -18.591
flat angles P-C4'-P energy: -12.857
tors. eta vs tors. theta energy: -16.486
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 69
Temperature: 1.200000
Total energy: -237.256209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.256209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.256209 (E_RNA)
where:
Base-Base interactions energy: -155.995
where: short stacking energy: -77.198
Base-Backbone interact. energy: -0.104
local terms energy: -81.157893
where:
bonds (distance) C4'-P energy: -18.114
bonds (distance) P-C4' energy: -15.889
flat angles C4'-P-C4' energy: -17.836
flat angles P-C4'-P energy: -9.879
tors. eta vs tors. theta energy: -19.441
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 69
Temperature: 1.250000
Total energy: -108.026882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.026882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.026882 (E_RNA)
where:
Base-Base interactions energy: -39.453
where: short stacking energy: -39.453
Base-Backbone interact. energy: 0.639
local terms energy: -69.213782
where:
bonds (distance) C4'-P energy: -17.528
bonds (distance) P-C4' energy: -19.322
flat angles C4'-P-C4' energy: -15.509
flat angles P-C4'-P energy: -12.289
tors. eta vs tors. theta energy: -4.567
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 69
Temperature: 1.300000
Total energy: -105.606650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.606650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.606650 (E_RNA)
where:
Base-Base interactions energy: -50.495
where: short stacking energy: -46.937
Base-Backbone interact. energy: 0.969
local terms energy: -56.080082
where:
bonds (distance) C4'-P energy: -16.308
bonds (distance) P-C4' energy: -11.461
flat angles C4'-P-C4' energy: -13.482
flat angles P-C4'-P energy: -9.700
tors. eta vs tors. theta energy: -5.129
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 69
Temperature: 1.350000
Total energy: -107.439426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.439426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.439426 (E_RNA)
where:
Base-Base interactions energy: -50.773
where: short stacking energy: -34.136
Base-Backbone interact. energy: -0.142
local terms energy: -56.524010
where:
bonds (distance) C4'-P energy: -11.956
bonds (distance) P-C4' energy: -15.981
flat angles C4'-P-C4' energy: -17.931
flat angles P-C4'-P energy: -6.469
tors. eta vs tors. theta energy: -4.187
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 70
Temperature: 0.900000
Total energy: -340.142120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.142120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.142120 (E_RNA)
where:
Base-Base interactions energy: -245.363
where: short stacking energy: -92.742
Base-Backbone interact. energy: 0.249
local terms energy: -95.027911
where:
bonds (distance) C4'-P energy: -20.788
bonds (distance) P-C4' energy: -20.861
flat angles C4'-P-C4' energy: -20.146
flat angles P-C4'-P energy: -11.831
tors. eta vs tors. theta energy: -21.401
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 70
Temperature: 0.950000
Total energy: -310.784946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.784946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.784946 (E_RNA)
where:
Base-Base interactions energy: -216.918
where: short stacking energy: -105.223
Base-Backbone interact. energy: -0.595
local terms energy: -93.272217
where:
bonds (distance) C4'-P energy: -18.434
bonds (distance) P-C4' energy: -17.423
flat angles C4'-P-C4' energy: -17.796
flat angles P-C4'-P energy: -13.868
tors. eta vs tors. theta energy: -25.751
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 70
Temperature: 1.000000
Total energy: -281.671447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.671447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.671447 (E_RNA)
where:
Base-Base interactions energy: -183.824
where: short stacking energy: -94.360
Base-Backbone interact. energy: -0.594
local terms energy: -97.253373
where:
bonds (distance) C4'-P energy: -18.822
bonds (distance) P-C4' energy: -16.746
flat angles C4'-P-C4' energy: -22.178
flat angles P-C4'-P energy: -16.595
tors. eta vs tors. theta energy: -22.914
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 70
Temperature: 1.050000
Total energy: -266.113462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.113462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.113462 (E_RNA)
where:
Base-Base interactions energy: -180.841
where: short stacking energy: -87.786
Base-Backbone interact. energy: 2.289
local terms energy: -87.561936
where:
bonds (distance) C4'-P energy: -19.143
bonds (distance) P-C4' energy: -20.149
flat angles C4'-P-C4' energy: -17.380
flat angles P-C4'-P energy: -10.820
tors. eta vs tors. theta energy: -20.070
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 70
Temperature: 1.100000
Total energy: -249.566129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.566129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.566129 (E_RNA)
where:
Base-Base interactions energy: -169.288
where: short stacking energy: -66.250
Base-Backbone interact. energy: 0.070
local terms energy: -80.348151
where:
bonds (distance) C4'-P energy: -17.970
bonds (distance) P-C4' energy: -18.186
flat angles C4'-P-C4' energy: -19.010
flat angles P-C4'-P energy: -12.127
tors. eta vs tors. theta energy: -13.055
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 70
Temperature: 1.150000
Total energy: -244.301847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.301847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.301847 (E_RNA)
where:
Base-Base interactions energy: -160.574
where: short stacking energy: -69.295
Base-Backbone interact. energy: -0.197
local terms energy: -83.530989
where:
bonds (distance) C4'-P energy: -19.375
bonds (distance) P-C4' energy: -16.199
flat angles C4'-P-C4' energy: -17.489
flat angles P-C4'-P energy: -10.264
tors. eta vs tors. theta energy: -20.204
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 70
Temperature: 1.200000
Total energy: -257.517791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.517791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.517791 (E_RNA)
where:
Base-Base interactions energy: -172.760
where: short stacking energy: -78.223
Base-Backbone interact. energy: -0.149
local terms energy: -84.608882
where:
bonds (distance) C4'-P energy: -18.065
bonds (distance) P-C4' energy: -19.892
flat angles C4'-P-C4' energy: -18.391
flat angles P-C4'-P energy: -10.462
tors. eta vs tors. theta energy: -17.799
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 70
Temperature: 1.250000
Total energy: -137.452586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.452586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.452586 (E_RNA)
where:
Base-Base interactions energy: -68.107
where: short stacking energy: -55.914
Base-Backbone interact. energy: -0.032
local terms energy: -69.314002
where:
bonds (distance) C4'-P energy: -16.696
bonds (distance) P-C4' energy: -18.576
flat angles C4'-P-C4' energy: -15.986
flat angles P-C4'-P energy: -7.829
tors. eta vs tors. theta energy: -10.227
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 70
Temperature: 1.300000
Total energy: -103.149776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.149776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.149776 (E_RNA)
where:
Base-Base interactions energy: -43.111
where: short stacking energy: -41.491
Base-Backbone interact. energy: -0.130
local terms energy: -59.908170
where:
bonds (distance) C4'-P energy: -6.642
bonds (distance) P-C4' energy: -14.199
flat angles C4'-P-C4' energy: -16.504
flat angles P-C4'-P energy: -12.446
tors. eta vs tors. theta energy: -10.117
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 70
Temperature: 1.350000
Total energy: -102.155589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.155589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.155589 (E_RNA)
where:
Base-Base interactions energy: -49.837
where: short stacking energy: -48.945
Base-Backbone interact. energy: -0.150
local terms energy: -52.168584
where:
bonds (distance) C4'-P energy: -13.504
bonds (distance) P-C4' energy: -11.279
flat angles C4'-P-C4' energy: -17.951
flat angles P-C4'-P energy: -5.239
tors. eta vs tors. theta energy: -4.195
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 71
Temperature: 0.900000
Total energy: -343.550164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.550164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.550164 (E_RNA)
where:
Base-Base interactions energy: -241.188
where: short stacking energy: -96.535
Base-Backbone interact. energy: 0.813
local terms energy: -103.175173
where:
bonds (distance) C4'-P energy: -19.560
bonds (distance) P-C4' energy: -20.998
flat angles C4'-P-C4' energy: -20.779
flat angles P-C4'-P energy: -16.982
tors. eta vs tors. theta energy: -24.856
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 71
Temperature: 0.950000
Total energy: -299.639087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.639087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.639087 (E_RNA)
where:
Base-Base interactions energy: -201.658
where: short stacking energy: -88.672
Base-Backbone interact. energy: 1.019
local terms energy: -98.999809
where:
bonds (distance) C4'-P energy: -22.410
bonds (distance) P-C4' energy: -22.244
flat angles C4'-P-C4' energy: -20.132
flat angles P-C4'-P energy: -15.004
tors. eta vs tors. theta energy: -19.210
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 71
Temperature: 1.000000
Total energy: -295.457289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.457289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.457289 (E_RNA)
where:
Base-Base interactions energy: -192.414
where: short stacking energy: -101.649
Base-Backbone interact. energy: 0.580
local terms energy: -103.623353
where:
bonds (distance) C4'-P energy: -21.052
bonds (distance) P-C4' energy: -19.010
flat angles C4'-P-C4' energy: -21.674
flat angles P-C4'-P energy: -15.591
tors. eta vs tors. theta energy: -26.296
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 71
Temperature: 1.050000
Total energy: -254.227372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.227372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.227372 (E_RNA)
where:
Base-Base interactions energy: -178.292
where: short stacking energy: -84.793
Base-Backbone interact. energy: 0.711
local terms energy: -76.646955
where:
bonds (distance) C4'-P energy: -14.193
bonds (distance) P-C4' energy: -14.342
flat angles C4'-P-C4' energy: -20.551
flat angles P-C4'-P energy: -12.280
tors. eta vs tors. theta energy: -15.281
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 71
Temperature: 1.100000
Total energy: -254.692101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.692101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.692101 (E_RNA)
where:
Base-Base interactions energy: -170.026
where: short stacking energy: -85.293
Base-Backbone interact. energy: -0.030
local terms energy: -84.635807
where:
bonds (distance) C4'-P energy: -12.997
bonds (distance) P-C4' energy: -20.265
flat angles C4'-P-C4' energy: -19.964
flat angles P-C4'-P energy: -13.173
tors. eta vs tors. theta energy: -18.238
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 71
Temperature: 1.150000
Total energy: -239.226665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.226665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.226665 (E_RNA)
where:
Base-Base interactions energy: -161.744
where: short stacking energy: -73.035
Base-Backbone interact. energy: -0.529
local terms energy: -76.953807
where:
bonds (distance) C4'-P energy: -16.950
bonds (distance) P-C4' energy: -13.641
flat angles C4'-P-C4' energy: -16.392
flat angles P-C4'-P energy: -11.714
tors. eta vs tors. theta energy: -18.257
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 71
Temperature: 1.200000
Total energy: -235.941165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.941165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.941165 (E_RNA)
where:
Base-Base interactions energy: -153.780
where: short stacking energy: -69.506
Base-Backbone interact. energy: -0.446
local terms energy: -81.715695
where:
bonds (distance) C4'-P energy: -20.540
bonds (distance) P-C4' energy: -13.811
flat angles C4'-P-C4' energy: -20.785
flat angles P-C4'-P energy: -11.112
tors. eta vs tors. theta energy: -15.468
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 71
Temperature: 1.250000
Total energy: -129.604944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.604944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.604944 (E_RNA)
where:
Base-Base interactions energy: -58.757
where: short stacking energy: -58.757
Base-Backbone interact. energy: -0.083
local terms energy: -70.764646
where:
bonds (distance) C4'-P energy: -18.259
bonds (distance) P-C4' energy: -17.676
flat angles C4'-P-C4' energy: -10.781
flat angles P-C4'-P energy: -10.277
tors. eta vs tors. theta energy: -13.772
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 71
Temperature: 1.300000
Total energy: -120.747730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.747730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.747730 (E_RNA)
where:
Base-Base interactions energy: -57.807
where: short stacking energy: -46.850
Base-Backbone interact. energy: -0.256
local terms energy: -62.685127
where:
bonds (distance) C4'-P energy: -14.702
bonds (distance) P-C4' energy: -21.025
flat angles C4'-P-C4' energy: -6.506
flat angles P-C4'-P energy: -14.977
tors. eta vs tors. theta energy: -5.475
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 71
Temperature: 1.350000
Total energy: -114.819074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.819074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.819074 (E_RNA)
where:
Base-Base interactions energy: -42.256
where: short stacking energy: -42.256
Base-Backbone interact. energy: -0.222
local terms energy: -72.341068
where:
bonds (distance) C4'-P energy: -16.619
bonds (distance) P-C4' energy: -23.082
flat angles C4'-P-C4' energy: -15.638
flat angles P-C4'-P energy: -12.258
tors. eta vs tors. theta energy: -4.745
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 72
Temperature: 0.900000
Total energy: -332.570981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.570981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.570981 (E_RNA)
where:
Base-Base interactions energy: -235.084
where: short stacking energy: -92.300
Base-Backbone interact. energy: -0.824
local terms energy: -96.663286
where:
bonds (distance) C4'-P energy: -16.719
bonds (distance) P-C4' energy: -22.370
flat angles C4'-P-C4' energy: -18.372
flat angles P-C4'-P energy: -16.204
tors. eta vs tors. theta energy: -22.998
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 72
Temperature: 0.950000
Total energy: -311.199954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.199954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.199954 (E_RNA)
where:
Base-Base interactions energy: -201.711
where: short stacking energy: -91.192
Base-Backbone interact. energy: -1.008
local terms energy: -108.481289
where:
bonds (distance) C4'-P energy: -20.403
bonds (distance) P-C4' energy: -17.903
flat angles C4'-P-C4' energy: -24.586
flat angles P-C4'-P energy: -16.574
tors. eta vs tors. theta energy: -29.015
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 72
Temperature: 1.000000
Total energy: -272.154020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.154020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.154020 (E_RNA)
where:
Base-Base interactions energy: -180.937
where: short stacking energy: -91.565
Base-Backbone interact. energy: -0.098
local terms energy: -91.118952
where:
bonds (distance) C4'-P energy: -21.860
bonds (distance) P-C4' energy: -19.776
flat angles C4'-P-C4' energy: -15.441
flat angles P-C4'-P energy: -14.388
tors. eta vs tors. theta energy: -19.653
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 72
Temperature: 1.050000
Total energy: -247.382637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.382637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.382637 (E_RNA)
where:
Base-Base interactions energy: -166.854
where: short stacking energy: -77.650
Base-Backbone interact. energy: 1.791
local terms energy: -82.319697
where:
bonds (distance) C4'-P energy: -13.680
bonds (distance) P-C4' energy: -20.337
flat angles C4'-P-C4' energy: -19.495
flat angles P-C4'-P energy: -13.973
tors. eta vs tors. theta energy: -14.836
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 72
Temperature: 1.100000
Total energy: -268.844336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.844336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.844336 (E_RNA)
where:
Base-Base interactions energy: -176.249
where: short stacking energy: -94.758
Base-Backbone interact. energy: -0.343
local terms energy: -92.252314
where:
bonds (distance) C4'-P energy: -9.274
bonds (distance) P-C4' energy: -20.830
flat angles C4'-P-C4' energy: -21.735
flat angles P-C4'-P energy: -14.298
tors. eta vs tors. theta energy: -26.115
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 72
Temperature: 1.150000
Total energy: -274.558965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.558965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.558965 (E_RNA)
where:
Base-Base interactions energy: -188.119
where: short stacking energy: -87.579
Base-Backbone interact. energy: 0.680
local terms energy: -87.120035
where:
bonds (distance) C4'-P energy: -19.587
bonds (distance) P-C4' energy: -20.300
flat angles C4'-P-C4' energy: -14.614
flat angles P-C4'-P energy: -14.507
tors. eta vs tors. theta energy: -18.112
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 72
Temperature: 1.200000
Total energy: -226.049267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.049267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.049267 (E_RNA)
where:
Base-Base interactions energy: -149.833
where: short stacking energy: -61.398
Base-Backbone interact. energy: -1.066
local terms energy: -75.151157
where:
bonds (distance) C4'-P energy: -18.193
bonds (distance) P-C4' energy: -16.096
flat angles C4'-P-C4' energy: -16.283
flat angles P-C4'-P energy: -12.441
tors. eta vs tors. theta energy: -12.137
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 72
Temperature: 1.250000
Total energy: -111.738325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.738325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.738325 (E_RNA)
where:
Base-Base interactions energy: -48.406
where: short stacking energy: -39.810
Base-Backbone interact. energy: -0.285
local terms energy: -63.047294
where:
bonds (distance) C4'-P energy: -13.767
bonds (distance) P-C4' energy: -18.265
flat angles C4'-P-C4' energy: -13.667
flat angles P-C4'-P energy: -12.196
tors. eta vs tors. theta energy: -5.151
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 72
Temperature: 1.300000
Total energy: -99.108616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.108616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.108616 (E_RNA)
where:
Base-Base interactions energy: -48.025
where: short stacking energy: -27.371
Base-Backbone interact. energy: -0.129
local terms energy: -50.954660
where:
bonds (distance) C4'-P energy: -14.325
bonds (distance) P-C4' energy: -16.545
flat angles C4'-P-C4' energy: -10.036
flat angles P-C4'-P energy: -10.401
tors. eta vs tors. theta energy: 0.352
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 72
Temperature: 1.350000
Total energy: -107.706442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.706442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.706442 (E_RNA)
where:
Base-Base interactions energy: -42.859
where: short stacking energy: -32.502
Base-Backbone interact. energy: 0.151
local terms energy: -64.998776
where:
bonds (distance) C4'-P energy: -21.514
bonds (distance) P-C4' energy: -18.615
flat angles C4'-P-C4' energy: -12.533
flat angles P-C4'-P energy: -10.696
tors. eta vs tors. theta energy: -1.641
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 73
Temperature: 0.900000
Total energy: -331.640312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.640312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.640312 (E_RNA)
where:
Base-Base interactions energy: -234.879
where: short stacking energy: -92.554
Base-Backbone interact. energy: -2.303
local terms energy: -94.458628
where:
bonds (distance) C4'-P energy: -19.621
bonds (distance) P-C4' energy: -20.311
flat angles C4'-P-C4' energy: -19.504
flat angles P-C4'-P energy: -10.383
tors. eta vs tors. theta energy: -24.640
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 73
Temperature: 0.950000
Total energy: -295.488635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.488635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.488635 (E_RNA)
where:
Base-Base interactions energy: -197.600
where: short stacking energy: -91.267
Base-Backbone interact. energy: 0.329
local terms energy: -98.217130
where:
bonds (distance) C4'-P energy: -19.454
bonds (distance) P-C4' energy: -21.437
flat angles C4'-P-C4' energy: -22.535
flat angles P-C4'-P energy: -14.671
tors. eta vs tors. theta energy: -20.121
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 73
Temperature: 1.000000
Total energy: -297.712065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.712065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.712065 (E_RNA)
where:
Base-Base interactions energy: -195.893
where: short stacking energy: -87.320
Base-Backbone interact. energy: -1.368
local terms energy: -100.451542
where:
bonds (distance) C4'-P energy: -19.091
bonds (distance) P-C4' energy: -21.908
flat angles C4'-P-C4' energy: -17.257
flat angles P-C4'-P energy: -17.133
tors. eta vs tors. theta energy: -25.063
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 73
Temperature: 1.050000
Total energy: -252.865279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.865279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.865279 (E_RNA)
where:
Base-Base interactions energy: -174.416
where: short stacking energy: -73.931
Base-Backbone interact. energy: 0.167
local terms energy: -78.616158
where:
bonds (distance) C4'-P energy: -18.060
bonds (distance) P-C4' energy: -16.515
flat angles C4'-P-C4' energy: -17.326
flat angles P-C4'-P energy: -11.460
tors. eta vs tors. theta energy: -15.254
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 73
Temperature: 1.100000
Total energy: -251.262562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.262562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.262562 (E_RNA)
where:
Base-Base interactions energy: -169.714
where: short stacking energy: -69.511
Base-Backbone interact. energy: -0.407
local terms energy: -81.141841
where:
bonds (distance) C4'-P energy: -15.741
bonds (distance) P-C4' energy: -22.917
flat angles C4'-P-C4' energy: -14.524
flat angles P-C4'-P energy: -14.103
tors. eta vs tors. theta energy: -13.857
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 73
Temperature: 1.150000
Total energy: -249.471397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.471397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.471397 (E_RNA)
where:
Base-Base interactions energy: -166.952
where: short stacking energy: -75.677
Base-Backbone interact. energy: -0.092
local terms energy: -82.427397
where:
bonds (distance) C4'-P energy: -17.872
bonds (distance) P-C4' energy: -18.098
flat angles C4'-P-C4' energy: -17.243
flat angles P-C4'-P energy: -13.587
tors. eta vs tors. theta energy: -15.628
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 73
Temperature: 1.200000
Total energy: -231.526418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.526418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.526418 (E_RNA)
where:
Base-Base interactions energy: -150.208
where: short stacking energy: -75.607
Base-Backbone interact. energy: -0.423
local terms energy: -80.895627
where:
bonds (distance) C4'-P energy: -18.464
bonds (distance) P-C4' energy: -17.220
flat angles C4'-P-C4' energy: -16.890
flat angles P-C4'-P energy: -7.649
tors. eta vs tors. theta energy: -20.673
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 73
Temperature: 1.250000
Total energy: -138.403646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.403646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.403646 (E_RNA)
where:
Base-Base interactions energy: -71.857
where: short stacking energy: -45.337
Base-Backbone interact. energy: -0.167
local terms energy: -66.379342
where:
bonds (distance) C4'-P energy: -10.608
bonds (distance) P-C4' energy: -15.860
flat angles C4'-P-C4' energy: -21.082
flat angles P-C4'-P energy: -14.168
tors. eta vs tors. theta energy: -4.661
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 73
Temperature: 1.300000
Total energy: -113.841672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.841672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.841672 (E_RNA)
where:
Base-Base interactions energy: -45.089
where: short stacking energy: -45.066
Base-Backbone interact. energy: -0.132
local terms energy: -68.620998
where:
bonds (distance) C4'-P energy: -18.917
bonds (distance) P-C4' energy: -21.485
flat angles C4'-P-C4' energy: -16.949
flat angles P-C4'-P energy: -7.987
tors. eta vs tors. theta energy: -3.283
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 73
Temperature: 1.350000
Total energy: -101.002547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.002547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.002547 (E_RNA)
where:
Base-Base interactions energy: -47.570
where: short stacking energy: -35.657
Base-Backbone interact. energy: -0.102
local terms energy: -53.330731
where:
bonds (distance) C4'-P energy: -9.812
bonds (distance) P-C4' energy: -18.282
flat angles C4'-P-C4' energy: -20.876
flat angles P-C4'-P energy: -4.489
tors. eta vs tors. theta energy: 0.128
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 74
Temperature: 0.900000
Total energy: -333.837705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.837705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.837705 (E_RNA)
where:
Base-Base interactions energy: -237.197
where: short stacking energy: -97.728
Base-Backbone interact. energy: -0.491
local terms energy: -96.149370
where:
bonds (distance) C4'-P energy: -18.308
bonds (distance) P-C4' energy: -19.465
flat angles C4'-P-C4' energy: -20.771
flat angles P-C4'-P energy: -14.614
tors. eta vs tors. theta energy: -22.992
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 74
Temperature: 0.950000
Total energy: -290.055832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.055832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.055832 (E_RNA)
where:
Base-Base interactions energy: -196.466
where: short stacking energy: -75.835
Base-Backbone interact. energy: -0.318
local terms energy: -93.272058
where:
bonds (distance) C4'-P energy: -19.870
bonds (distance) P-C4' energy: -19.732
flat angles C4'-P-C4' energy: -20.168
flat angles P-C4'-P energy: -16.711
tors. eta vs tors. theta energy: -16.791
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 74
Temperature: 1.000000
Total energy: -304.685634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.685634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.685634 (E_RNA)
where:
Base-Base interactions energy: -204.633
where: short stacking energy: -96.370
Base-Backbone interact. energy: -0.371
local terms energy: -99.682282
where:
bonds (distance) C4'-P energy: -19.305
bonds (distance) P-C4' energy: -21.465
flat angles C4'-P-C4' energy: -20.238
flat angles P-C4'-P energy: -13.973
tors. eta vs tors. theta energy: -24.701
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 74
Temperature: 1.050000
Total energy: -272.493892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.493892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.493892 (E_RNA)
where:
Base-Base interactions energy: -186.862
where: short stacking energy: -77.049
Base-Backbone interact. energy: -0.302
local terms energy: -85.329536
where:
bonds (distance) C4'-P energy: -17.510
bonds (distance) P-C4' energy: -20.371
flat angles C4'-P-C4' energy: -19.070
flat angles P-C4'-P energy: -9.864
tors. eta vs tors. theta energy: -18.514
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 74
Temperature: 1.100000
Total energy: -242.424490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.424490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.424490 (E_RNA)
where:
Base-Base interactions energy: -153.261
where: short stacking energy: -78.886
Base-Backbone interact. energy: -0.821
local terms energy: -88.341974
where:
bonds (distance) C4'-P energy: -19.309
bonds (distance) P-C4' energy: -17.289
flat angles C4'-P-C4' energy: -22.896
flat angles P-C4'-P energy: -11.490
tors. eta vs tors. theta energy: -17.358
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 74
Temperature: 1.150000
Total energy: -237.928926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.928926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.928926 (E_RNA)
where:
Base-Base interactions energy: -167.219
where: short stacking energy: -75.419
Base-Backbone interact. energy: -0.258
local terms energy: -70.452573
where:
bonds (distance) C4'-P energy: -14.419
bonds (distance) P-C4' energy: -18.520
flat angles C4'-P-C4' energy: -14.138
flat angles P-C4'-P energy: -8.389
tors. eta vs tors. theta energy: -14.986
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 74
Temperature: 1.200000
Total energy: -233.973732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.973732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.973732 (E_RNA)
where:
Base-Base interactions energy: -149.683
where: short stacking energy: -73.581
Base-Backbone interact. energy: 1.736
local terms energy: -86.027297
where:
bonds (distance) C4'-P energy: -16.719
bonds (distance) P-C4' energy: -22.557
flat angles C4'-P-C4' energy: -18.065
flat angles P-C4'-P energy: -12.320
tors. eta vs tors. theta energy: -16.366
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 74
Temperature: 1.250000
Total energy: -147.449689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.449689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.449689 (E_RNA)
where:
Base-Base interactions energy: -74.274
where: short stacking energy: -47.066
Base-Backbone interact. energy: -0.665
local terms energy: -72.510874
where:
bonds (distance) C4'-P energy: -16.962
bonds (distance) P-C4' energy: -16.100
flat angles C4'-P-C4' energy: -18.598
flat angles P-C4'-P energy: -12.305
tors. eta vs tors. theta energy: -8.546
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 74
Temperature: 1.300000
Total energy: -114.704669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.704669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.704669 (E_RNA)
where:
Base-Base interactions energy: -52.571
where: short stacking energy: -46.179
Base-Backbone interact. energy: -0.597
local terms energy: -61.537458
where:
bonds (distance) C4'-P energy: -13.331
bonds (distance) P-C4' energy: -20.439
flat angles C4'-P-C4' energy: -16.614
flat angles P-C4'-P energy: -5.301
tors. eta vs tors. theta energy: -5.852
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 74
Temperature: 1.350000
Total energy: -101.587687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.587687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.587687 (E_RNA)
where:
Base-Base interactions energy: -36.764
where: short stacking energy: -21.298
Base-Backbone interact. energy: 0.109
local terms energy: -64.932717
where:
bonds (distance) C4'-P energy: -15.335
bonds (distance) P-C4' energy: -23.090
flat angles C4'-P-C4' energy: -17.713
flat angles P-C4'-P energy: -10.380
tors. eta vs tors. theta energy: 1.586
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 75
Temperature: 0.900000
Total energy: -329.950557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.950557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.950557 (E_RNA)
where:
Base-Base interactions energy: -228.470
where: short stacking energy: -93.973
Base-Backbone interact. energy: -0.755
local terms energy: -100.725853
where:
bonds (distance) C4'-P energy: -22.353
bonds (distance) P-C4' energy: -21.698
flat angles C4'-P-C4' energy: -18.518
flat angles P-C4'-P energy: -14.391
tors. eta vs tors. theta energy: -23.766
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 75
Temperature: 0.950000
Total energy: -299.985657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.985657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.985657 (E_RNA)
where:
Base-Base interactions energy: -202.464
where: short stacking energy: -82.625
Base-Backbone interact. energy: -0.126
local terms energy: -97.395800
where:
bonds (distance) C4'-P energy: -21.236
bonds (distance) P-C4' energy: -17.439
flat angles C4'-P-C4' energy: -20.990
flat angles P-C4'-P energy: -16.105
tors. eta vs tors. theta energy: -21.626
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 75
Temperature: 1.000000
Total energy: -280.244598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.244598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.244598 (E_RNA)
where:
Base-Base interactions energy: -179.700
where: short stacking energy: -78.222
Base-Backbone interact. energy: -1.066
local terms energy: -99.478742
where:
bonds (distance) C4'-P energy: -18.864
bonds (distance) P-C4' energy: -22.593
flat angles C4'-P-C4' energy: -20.562
flat angles P-C4'-P energy: -15.218
tors. eta vs tors. theta energy: -22.243
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 75
Temperature: 1.050000
Total energy: -269.438991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.438991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.438991 (E_RNA)
where:
Base-Base interactions energy: -188.530
where: short stacking energy: -78.693
Base-Backbone interact. energy: 1.259
local terms energy: -82.168112
where:
bonds (distance) C4'-P energy: -17.563
bonds (distance) P-C4' energy: -19.449
flat angles C4'-P-C4' energy: -16.431
flat angles P-C4'-P energy: -12.239
tors. eta vs tors. theta energy: -16.486
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 75
Temperature: 1.100000
Total energy: -257.407546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.407546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.407546 (E_RNA)
where:
Base-Base interactions energy: -176.905
where: short stacking energy: -78.869
Base-Backbone interact. energy: 0.292
local terms energy: -80.795137
where:
bonds (distance) C4'-P energy: -15.800
bonds (distance) P-C4' energy: -21.698
flat angles C4'-P-C4' energy: -18.973
flat angles P-C4'-P energy: -5.175
tors. eta vs tors. theta energy: -19.150
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 75
Temperature: 1.150000
Total energy: -237.714865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.714865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.714865 (E_RNA)
where:
Base-Base interactions energy: -164.712
where: short stacking energy: -67.502
Base-Backbone interact. energy: -0.830
local terms energy: -72.172883
where:
bonds (distance) C4'-P energy: -16.905
bonds (distance) P-C4' energy: -15.457
flat angles C4'-P-C4' energy: -20.114
flat angles P-C4'-P energy: -6.245
tors. eta vs tors. theta energy: -13.452
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 75
Temperature: 1.200000
Total energy: -237.099662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.099662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.099662 (E_RNA)
where:
Base-Base interactions energy: -160.716
where: short stacking energy: -67.510
Base-Backbone interact. energy: -1.012
local terms energy: -75.371510
where:
bonds (distance) C4'-P energy: -13.564
bonds (distance) P-C4' energy: -19.961
flat angles C4'-P-C4' energy: -18.990
flat angles P-C4'-P energy: -8.792
tors. eta vs tors. theta energy: -14.064
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 75
Temperature: 1.250000
Total energy: -103.271957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.271957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.271957 (E_RNA)
where:
Base-Base interactions energy: -36.608
where: short stacking energy: -35.366
Base-Backbone interact. energy: -0.132
local terms energy: -66.532181
where:
bonds (distance) C4'-P energy: -14.773
bonds (distance) P-C4' energy: -16.353
flat angles C4'-P-C4' energy: -18.675
flat angles P-C4'-P energy: -13.896
tors. eta vs tors. theta energy: -2.836
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 75
Temperature: 1.300000
Total energy: -109.428326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.428326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.428326 (E_RNA)
where:
Base-Base interactions energy: -45.995
where: short stacking energy: -45.995
Base-Backbone interact. energy: 0.415
local terms energy: -63.848987
where:
bonds (distance) C4'-P energy: -16.594
bonds (distance) P-C4' energy: -16.603
flat angles C4'-P-C4' energy: -13.918
flat angles P-C4'-P energy: -10.782
tors. eta vs tors. theta energy: -5.952
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 75
Temperature: 1.350000
Total energy: -101.830842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.830842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.830842 (E_RNA)
where:
Base-Base interactions energy: -42.527
where: short stacking energy: -41.421
Base-Backbone interact. energy: 0.201
local terms energy: -59.505167
where:
bonds (distance) C4'-P energy: -11.481
bonds (distance) P-C4' energy: -15.775
flat angles C4'-P-C4' energy: -17.159
flat angles P-C4'-P energy: -10.305
tors. eta vs tors. theta energy: -4.785
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 76
Temperature: 0.900000
Total energy: -328.043382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.043382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.043382 (E_RNA)
where:
Base-Base interactions energy: -230.184
where: short stacking energy: -96.272
Base-Backbone interact. energy: -0.289
local terms energy: -97.570469
where:
bonds (distance) C4'-P energy: -21.638
bonds (distance) P-C4' energy: -20.760
flat angles C4'-P-C4' energy: -19.411
flat angles P-C4'-P energy: -11.429
tors. eta vs tors. theta energy: -24.333
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 76
Temperature: 0.950000
Total energy: -305.157210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.157210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.157210 (E_RNA)
where:
Base-Base interactions energy: -206.672
where: short stacking energy: -89.803
Base-Backbone interact. energy: -0.865
local terms energy: -97.619725
where:
bonds (distance) C4'-P energy: -19.916
bonds (distance) P-C4' energy: -17.960
flat angles C4'-P-C4' energy: -20.185
flat angles P-C4'-P energy: -14.361
tors. eta vs tors. theta energy: -25.199
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 76
Temperature: 1.000000
Total energy: -284.039333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.039333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.039333 (E_RNA)
where:
Base-Base interactions energy: -193.785
where: short stacking energy: -92.841
Base-Backbone interact. energy: 0.169
local terms energy: -90.423739
where:
bonds (distance) C4'-P energy: -18.346
bonds (distance) P-C4' energy: -16.463
flat angles C4'-P-C4' energy: -19.714
flat angles P-C4'-P energy: -13.896
tors. eta vs tors. theta energy: -22.005
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 76
Temperature: 1.050000
Total energy: -254.308286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.308286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.308286 (E_RNA)
where:
Base-Base interactions energy: -152.307
where: short stacking energy: -80.720
Base-Backbone interact. energy: -0.206
local terms energy: -101.795096
where:
bonds (distance) C4'-P energy: -18.254
bonds (distance) P-C4' energy: -21.645
flat angles C4'-P-C4' energy: -21.519
flat angles P-C4'-P energy: -17.262
tors. eta vs tors. theta energy: -23.115
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 76
Temperature: 1.100000
Total energy: -260.205864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.205864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.205864 (E_RNA)
where:
Base-Base interactions energy: -172.806
where: short stacking energy: -88.526
Base-Backbone interact. energy: -0.036
local terms energy: -87.363821
where:
bonds (distance) C4'-P energy: -17.121
bonds (distance) P-C4' energy: -17.064
flat angles C4'-P-C4' energy: -16.394
flat angles P-C4'-P energy: -16.386
tors. eta vs tors. theta energy: -20.400
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 76
Temperature: 1.150000
Total energy: -226.010899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.010899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.010899 (E_RNA)
where:
Base-Base interactions energy: -141.822
where: short stacking energy: -75.671
Base-Backbone interact. energy: -0.158
local terms energy: -84.031022
where:
bonds (distance) C4'-P energy: -18.568
bonds (distance) P-C4' energy: -20.479
flat angles C4'-P-C4' energy: -21.759
flat angles P-C4'-P energy: -7.979
tors. eta vs tors. theta energy: -15.246
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 76
Temperature: 1.200000
Total energy: -225.175508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.175508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.175508 (E_RNA)
where:
Base-Base interactions energy: -136.985
where: short stacking energy: -63.510
Base-Backbone interact. energy: -0.342
local terms energy: -87.848224
where:
bonds (distance) C4'-P energy: -21.289
bonds (distance) P-C4' energy: -22.684
flat angles C4'-P-C4' energy: -16.555
flat angles P-C4'-P energy: -16.354
tors. eta vs tors. theta energy: -10.967
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 76
Temperature: 1.250000
Total energy: -111.176524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.176524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.176524 (E_RNA)
where:
Base-Base interactions energy: -44.575
where: short stacking energy: -22.833
Base-Backbone interact. energy: -0.263
local terms energy: -66.339166
where:
bonds (distance) C4'-P energy: -16.828
bonds (distance) P-C4' energy: -19.390
flat angles C4'-P-C4' energy: -14.681
flat angles P-C4'-P energy: -14.032
tors. eta vs tors. theta energy: -1.407
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 76
Temperature: 1.300000
Total energy: -142.058439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.058439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.058439 (E_RNA)
where:
Base-Base interactions energy: -71.873
where: short stacking energy: -63.731
Base-Backbone interact. energy: -0.127
local terms energy: -70.057879
where:
bonds (distance) C4'-P energy: -10.646
bonds (distance) P-C4' energy: -19.237
flat angles C4'-P-C4' energy: -15.724
flat angles P-C4'-P energy: -13.626
tors. eta vs tors. theta energy: -10.824
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 76
Temperature: 1.350000
Total energy: -108.282987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.282987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.282987 (E_RNA)
where:
Base-Base interactions energy: -53.639
where: short stacking energy: -29.971
Base-Backbone interact. energy: -1.125
local terms energy: -53.518464
where:
bonds (distance) C4'-P energy: -16.718
bonds (distance) P-C4' energy: -19.605
flat angles C4'-P-C4' energy: -16.436
flat angles P-C4'-P energy: -5.440
tors. eta vs tors. theta energy: 4.680
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 77
Temperature: 0.900000
Total energy: -331.011245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.011245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.011245 (E_RNA)
where:
Base-Base interactions energy: -233.464
where: short stacking energy: -97.001
Base-Backbone interact. energy: -0.282
local terms energy: -97.265947
where:
bonds (distance) C4'-P energy: -19.803
bonds (distance) P-C4' energy: -19.427
flat angles C4'-P-C4' energy: -19.574
flat angles P-C4'-P energy: -12.438
tors. eta vs tors. theta energy: -26.024
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 77
Temperature: 0.950000
Total energy: -297.259967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.259967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.259967 (E_RNA)
where:
Base-Base interactions energy: -214.839
where: short stacking energy: -85.608
Base-Backbone interact. energy: -2.507
local terms energy: -79.914402
where:
bonds (distance) C4'-P energy: -13.660
bonds (distance) P-C4' energy: -21.115
flat angles C4'-P-C4' energy: -13.746
flat angles P-C4'-P energy: -13.014
tors. eta vs tors. theta energy: -18.379
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 77
Temperature: 1.000000
Total energy: -308.095818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.095818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.095818 (E_RNA)
where:
Base-Base interactions energy: -208.133
where: short stacking energy: -98.385
Base-Backbone interact. energy: -0.168
local terms energy: -99.795128
where:
bonds (distance) C4'-P energy: -18.789
bonds (distance) P-C4' energy: -14.998
flat angles C4'-P-C4' energy: -22.324
flat angles P-C4'-P energy: -14.917
tors. eta vs tors. theta energy: -28.767
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 77
Temperature: 1.050000
Total energy: -288.152421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.152421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.152421 (E_RNA)
where:
Base-Base interactions energy: -189.015
where: short stacking energy: -93.354
Base-Backbone interact. energy: -0.368
local terms energy: -98.769572
where:
bonds (distance) C4'-P energy: -15.066
bonds (distance) P-C4' energy: -17.772
flat angles C4'-P-C4' energy: -22.771
flat angles P-C4'-P energy: -15.739
tors. eta vs tors. theta energy: -27.422
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 77
Temperature: 1.100000
Total energy: -251.419759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.419759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.419759 (E_RNA)
where:
Base-Base interactions energy: -166.599
where: short stacking energy: -74.428
Base-Backbone interact. energy: -0.152
local terms energy: -84.668703
where:
bonds (distance) C4'-P energy: -12.918
bonds (distance) P-C4' energy: -19.889
flat angles C4'-P-C4' energy: -19.845
flat angles P-C4'-P energy: -14.231
tors. eta vs tors. theta energy: -17.786
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 77
Temperature: 1.150000
Total energy: -236.648431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.648431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.648431 (E_RNA)
where:
Base-Base interactions energy: -157.982
where: short stacking energy: -73.622
Base-Backbone interact. energy: -0.032
local terms energy: -78.634496
where:
bonds (distance) C4'-P energy: -15.270
bonds (distance) P-C4' energy: -18.685
flat angles C4'-P-C4' energy: -17.612
flat angles P-C4'-P energy: -10.261
tors. eta vs tors. theta energy: -16.807
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 77
Temperature: 1.200000
Total energy: -245.539557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.539557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.539557 (E_RNA)
where:
Base-Base interactions energy: -158.008
where: short stacking energy: -80.749
Base-Backbone interact. energy: -0.004
local terms energy: -87.526919
where:
bonds (distance) C4'-P energy: -22.085
bonds (distance) P-C4' energy: -16.667
flat angles C4'-P-C4' energy: -15.531
flat angles P-C4'-P energy: -9.127
tors. eta vs tors. theta energy: -24.118
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 77
Temperature: 1.250000
Total energy: -112.635937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.635937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.635937 (E_RNA)
where:
Base-Base interactions energy: -55.405
where: short stacking energy: -34.989
Base-Backbone interact. energy: 0.751
local terms energy: -57.982667
where:
bonds (distance) C4'-P energy: -12.218
bonds (distance) P-C4' energy: -11.279
flat angles C4'-P-C4' energy: -18.922
flat angles P-C4'-P energy: -11.992
tors. eta vs tors. theta energy: -3.572
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 77
Temperature: 1.300000
Total energy: -109.482621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.482621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.482621 (E_RNA)
where:
Base-Base interactions energy: -49.546
where: short stacking energy: -48.022
Base-Backbone interact. energy: -0.660
local terms energy: -59.277266
where:
bonds (distance) C4'-P energy: -11.091
bonds (distance) P-C4' energy: -11.786
flat angles C4'-P-C4' energy: -19.894
flat angles P-C4'-P energy: -8.728
tors. eta vs tors. theta energy: -7.778
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 77
Temperature: 1.350000
Total energy: -97.601274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.601274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.601274 (E_RNA)
where:
Base-Base interactions energy: -35.735
where: short stacking energy: -35.735
Base-Backbone interact. energy: -0.058
local terms energy: -61.808114
where:
bonds (distance) C4'-P energy: -18.980
bonds (distance) P-C4' energy: -19.480
flat angles C4'-P-C4' energy: -13.917
flat angles P-C4'-P energy: -8.024
tors. eta vs tors. theta energy: -1.407
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 78
Temperature: 0.900000
Total energy: -338.455402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.455402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.455402 (E_RNA)
where:
Base-Base interactions energy: -241.370
where: short stacking energy: -96.070
Base-Backbone interact. energy: -0.201
local terms energy: -96.884316
where:
bonds (distance) C4'-P energy: -14.525
bonds (distance) P-C4' energy: -20.894
flat angles C4'-P-C4' energy: -18.943
flat angles P-C4'-P energy: -17.527
tors. eta vs tors. theta energy: -24.996
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 78
Temperature: 0.950000
Total energy: -300.043058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.043058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.043058 (E_RNA)
where:
Base-Base interactions energy: -213.077
where: short stacking energy: -83.228
Base-Backbone interact. energy: -0.905
local terms energy: -86.060946
where:
bonds (distance) C4'-P energy: -18.955
bonds (distance) P-C4' energy: -14.596
flat angles C4'-P-C4' energy: -19.882
flat angles P-C4'-P energy: -16.439
tors. eta vs tors. theta energy: -16.190
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 78
Temperature: 1.000000
Total energy: -277.008970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.008970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.008970 (E_RNA)
where:
Base-Base interactions energy: -187.985
where: short stacking energy: -84.813
Base-Backbone interact. energy: -0.753
local terms energy: -88.270304
where:
bonds (distance) C4'-P energy: -15.601
bonds (distance) P-C4' energy: -20.053
flat angles C4'-P-C4' energy: -17.721
flat angles P-C4'-P energy: -13.532
tors. eta vs tors. theta energy: -21.363
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 78
Temperature: 1.050000
Total energy: -293.928268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.928268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.928268 (E_RNA)
where:
Base-Base interactions energy: -202.635
where: short stacking energy: -90.696
Base-Backbone interact. energy: -1.517
local terms energy: -89.776020
where:
bonds (distance) C4'-P energy: -12.663
bonds (distance) P-C4' energy: -18.387
flat angles C4'-P-C4' energy: -16.559
flat angles P-C4'-P energy: -13.353
tors. eta vs tors. theta energy: -28.814
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 78
Temperature: 1.100000
Total energy: -254.315237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.315237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.315237 (E_RNA)
where:
Base-Base interactions energy: -176.230
where: short stacking energy: -79.448
Base-Backbone interact. energy: 0.530
local terms energy: -78.614823
where:
bonds (distance) C4'-P energy: -20.250
bonds (distance) P-C4' energy: -11.239
flat angles C4'-P-C4' energy: -19.103
flat angles P-C4'-P energy: -9.988
tors. eta vs tors. theta energy: -18.035
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 78
Temperature: 1.150000
Total energy: -239.730921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.730921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.730921 (E_RNA)
where:
Base-Base interactions energy: -170.483
where: short stacking energy: -61.151
Base-Backbone interact. energy: 2.495
local terms energy: -71.742514
where:
bonds (distance) C4'-P energy: -19.894
bonds (distance) P-C4' energy: -16.678
flat angles C4'-P-C4' energy: -12.605
flat angles P-C4'-P energy: -11.884
tors. eta vs tors. theta energy: -10.682
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 78
Temperature: 1.200000
Total energy: -170.654905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.654905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.654905 (E_RNA)
where:
Base-Base interactions energy: -98.971
where: short stacking energy: -60.497
Base-Backbone interact. energy: -1.266
local terms energy: -70.417996
where:
bonds (distance) C4'-P energy: -17.260
bonds (distance) P-C4' energy: -15.744
flat angles C4'-P-C4' energy: -17.084
flat angles P-C4'-P energy: -8.910
tors. eta vs tors. theta energy: -11.420
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 78
Temperature: 1.250000
Total energy: -120.691736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.691736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.691736 (E_RNA)
where:
Base-Base interactions energy: -57.458
where: short stacking energy: -42.178
Base-Backbone interact. energy: -0.389
local terms energy: -62.844422
where:
bonds (distance) C4'-P energy: -19.356
bonds (distance) P-C4' energy: -15.909
flat angles C4'-P-C4' energy: -16.130
flat angles P-C4'-P energy: -10.308
tors. eta vs tors. theta energy: -1.141
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 78
Temperature: 1.300000
Total energy: -103.754647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.754647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.754647 (E_RNA)
where:
Base-Base interactions energy: -37.732
where: short stacking energy: -30.586
Base-Backbone interact. energy: -0.532
local terms energy: -65.491416
where:
bonds (distance) C4'-P energy: -19.214
bonds (distance) P-C4' energy: -18.249
flat angles C4'-P-C4' energy: -18.623
flat angles P-C4'-P energy: -8.903
tors. eta vs tors. theta energy: -0.502
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 78
Temperature: 1.350000
Total energy: -105.182193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.182193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.182193 (E_RNA)
where:
Base-Base interactions energy: -42.722
where: short stacking energy: -42.485
Base-Backbone interact. energy: 0.324
local terms energy: -62.783743
where:
bonds (distance) C4'-P energy: -12.068
bonds (distance) P-C4' energy: -17.258
flat angles C4'-P-C4' energy: -17.778
flat angles P-C4'-P energy: -8.394
tors. eta vs tors. theta energy: -7.286
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 79
Temperature: 0.900000
Total energy: -340.169185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.169185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.169185 (E_RNA)
where:
Base-Base interactions energy: -244.279
where: short stacking energy: -98.844
Base-Backbone interact. energy: -0.169
local terms energy: -95.721319
where:
bonds (distance) C4'-P energy: -19.282
bonds (distance) P-C4' energy: -16.500
flat angles C4'-P-C4' energy: -19.410
flat angles P-C4'-P energy: -16.319
tors. eta vs tors. theta energy: -24.211
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 79
Temperature: 0.950000
Total energy: -295.526140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.526140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.526140 (E_RNA)
where:
Base-Base interactions energy: -202.457
where: short stacking energy: -86.207
Base-Backbone interact. energy: -0.353
local terms energy: -92.715582
where:
bonds (distance) C4'-P energy: -19.434
bonds (distance) P-C4' energy: -15.779
flat angles C4'-P-C4' energy: -19.448
flat angles P-C4'-P energy: -13.593
tors. eta vs tors. theta energy: -24.462
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 79
Temperature: 1.000000
Total energy: -273.843554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.843554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.843554 (E_RNA)
where:
Base-Base interactions energy: -178.874
where: short stacking energy: -74.723
Base-Backbone interact. energy: -0.861
local terms energy: -94.109094
where:
bonds (distance) C4'-P energy: -18.979
bonds (distance) P-C4' energy: -19.714
flat angles C4'-P-C4' energy: -20.363
flat angles P-C4'-P energy: -15.767
tors. eta vs tors. theta energy: -19.287
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 79
Temperature: 1.050000
Total energy: -300.260460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.260460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.260460 (E_RNA)
where:
Base-Base interactions energy: -203.343
where: short stacking energy: -95.111
Base-Backbone interact. energy: -0.299
local terms energy: -96.618107
where:
bonds (distance) C4'-P energy: -18.122
bonds (distance) P-C4' energy: -21.409
flat angles C4'-P-C4' energy: -20.528
flat angles P-C4'-P energy: -13.984
tors. eta vs tors. theta energy: -22.574
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 79
Temperature: 1.100000
Total energy: -244.774526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.774526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.774526 (E_RNA)
where:
Base-Base interactions energy: -159.011
where: short stacking energy: -64.123
Base-Backbone interact. energy: 0.168
local terms energy: -85.931401
where:
bonds (distance) C4'-P energy: -20.842
bonds (distance) P-C4' energy: -18.958
flat angles C4'-P-C4' energy: -22.005
flat angles P-C4'-P energy: -12.327
tors. eta vs tors. theta energy: -11.800
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 79
Temperature: 1.150000
Total energy: -240.723004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.723004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.723004 (E_RNA)
where:
Base-Base interactions energy: -149.419
where: short stacking energy: -63.206
Base-Backbone interact. energy: -0.502
local terms energy: -90.801973
where:
bonds (distance) C4'-P energy: -23.744
bonds (distance) P-C4' energy: -20.627
flat angles C4'-P-C4' energy: -16.077
flat angles P-C4'-P energy: -14.600
tors. eta vs tors. theta energy: -15.753
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 79
Temperature: 1.200000
Total energy: -185.804709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.804709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.804709 (E_RNA)
where:
Base-Base interactions energy: -105.284
where: short stacking energy: -59.231
Base-Backbone interact. energy: -0.110
local terms energy: -80.410866
where:
bonds (distance) C4'-P energy: -17.347
bonds (distance) P-C4' energy: -21.535
flat angles C4'-P-C4' energy: -13.527
flat angles P-C4'-P energy: -15.784
tors. eta vs tors. theta energy: -12.218
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 79
Temperature: 1.250000
Total energy: -115.141398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.141398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.141398 (E_RNA)
where:
Base-Base interactions energy: -45.350
where: short stacking energy: -45.350
Base-Backbone interact. energy: -0.094
local terms energy: -69.697380
where:
bonds (distance) C4'-P energy: -16.412
bonds (distance) P-C4' energy: -21.101
flat angles C4'-P-C4' energy: -19.782
flat angles P-C4'-P energy: -10.170
tors. eta vs tors. theta energy: -2.233
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 79
Temperature: 1.300000
Total energy: -102.014387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.014387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.014387 (E_RNA)
where:
Base-Base interactions energy: -34.530
where: short stacking energy: -34.075
Base-Backbone interact. energy: -0.247
local terms energy: -67.237284
where:
bonds (distance) C4'-P energy: -17.190
bonds (distance) P-C4' energy: -20.634
flat angles C4'-P-C4' energy: -19.365
flat angles P-C4'-P energy: -10.653
tors. eta vs tors. theta energy: 0.604
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 79
Temperature: 1.350000
Total energy: -105.698269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.698269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.698269 (E_RNA)
where:
Base-Base interactions energy: -39.542
where: short stacking energy: -34.393
Base-Backbone interact. energy: 0.607
local terms energy: -66.762937
where:
bonds (distance) C4'-P energy: -13.686
bonds (distance) P-C4' energy: -22.414
flat angles C4'-P-C4' energy: -16.269
flat angles P-C4'-P energy: -7.739
tors. eta vs tors. theta energy: -6.655
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 80
Temperature: 0.900000
Total energy: -336.256882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.256882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.256882 (E_RNA)
where:
Base-Base interactions energy: -248.774
where: short stacking energy: -97.393
Base-Backbone interact. energy: -0.512
local terms energy: -86.970453
where:
bonds (distance) C4'-P energy: -16.450
bonds (distance) P-C4' energy: -17.514
flat angles C4'-P-C4' energy: -17.636
flat angles P-C4'-P energy: -11.846
tors. eta vs tors. theta energy: -23.525
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 80
Temperature: 0.950000
Total energy: -293.556846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.556846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.556846 (E_RNA)
where:
Base-Base interactions energy: -200.378
where: short stacking energy: -82.056
Base-Backbone interact. energy: -1.305
local terms energy: -91.873858
where:
bonds (distance) C4'-P energy: -18.141
bonds (distance) P-C4' energy: -14.767
flat angles C4'-P-C4' energy: -19.311
flat angles P-C4'-P energy: -17.998
tors. eta vs tors. theta energy: -21.657
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 80
Temperature: 1.000000
Total energy: -297.435319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.435319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.435319 (E_RNA)
where:
Base-Base interactions energy: -197.826
where: short stacking energy: -92.036
Base-Backbone interact. energy: 0.212
local terms energy: -99.820864
where:
bonds (distance) C4'-P energy: -15.047
bonds (distance) P-C4' energy: -20.564
flat angles C4'-P-C4' energy: -21.960
flat angles P-C4'-P energy: -13.243
tors. eta vs tors. theta energy: -29.007
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 80
Temperature: 1.050000
Total energy: -263.847346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.847346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.847346 (E_RNA)
where:
Base-Base interactions energy: -183.579
where: short stacking energy: -78.465
Base-Backbone interact. energy: -0.020
local terms energy: -80.248186
where:
bonds (distance) C4'-P energy: -20.106
bonds (distance) P-C4' energy: -20.281
flat angles C4'-P-C4' energy: -16.345
flat angles P-C4'-P energy: -5.053
tors. eta vs tors. theta energy: -18.463
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 80
Temperature: 1.100000
Total energy: -239.525302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.525302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.525302 (E_RNA)
where:
Base-Base interactions energy: -166.690
where: short stacking energy: -76.299
Base-Backbone interact. energy: -0.173
local terms energy: -72.661623
where:
bonds (distance) C4'-P energy: -13.853
bonds (distance) P-C4' energy: -17.662
flat angles C4'-P-C4' energy: -11.983
flat angles P-C4'-P energy: -12.127
tors. eta vs tors. theta energy: -17.037
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 80
Temperature: 1.150000
Total energy: -233.315747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.315747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.315747 (E_RNA)
where:
Base-Base interactions energy: -151.928
where: short stacking energy: -70.758
Base-Backbone interact. energy: -0.806
local terms energy: -80.581887
where:
bonds (distance) C4'-P energy: -16.924
bonds (distance) P-C4' energy: -17.214
flat angles C4'-P-C4' energy: -17.822
flat angles P-C4'-P energy: -15.916
tors. eta vs tors. theta energy: -12.706
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 80
Temperature: 1.200000
Total energy: -135.633314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.633314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.633314 (E_RNA)
where:
Base-Base interactions energy: -63.279
where: short stacking energy: -59.476
Base-Backbone interact. energy: -0.127
local terms energy: -72.227054
where:
bonds (distance) C4'-P energy: -17.923
bonds (distance) P-C4' energy: -20.361
flat angles C4'-P-C4' energy: -16.919
flat angles P-C4'-P energy: -10.639
tors. eta vs tors. theta energy: -6.385
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 80
Temperature: 1.250000
Total energy: -170.062086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.062086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.062086 (E_RNA)
where:
Base-Base interactions energy: -91.650
where: short stacking energy: -52.950
Base-Backbone interact. energy: -0.831
local terms energy: -77.581035
where:
bonds (distance) C4'-P energy: -16.930
bonds (distance) P-C4' energy: -19.543
flat angles C4'-P-C4' energy: -19.313
flat angles P-C4'-P energy: -10.505
tors. eta vs tors. theta energy: -11.290
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 80
Temperature: 1.300000
Total energy: -101.369969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.369969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.369969 (E_RNA)
where:
Base-Base interactions energy: -44.160
where: short stacking energy: -32.231
Base-Backbone interact. energy: -0.742
local terms energy: -56.468048
where:
bonds (distance) C4'-P energy: -16.521
bonds (distance) P-C4' energy: -19.296
flat angles C4'-P-C4' energy: -15.035
flat angles P-C4'-P energy: -4.285
tors. eta vs tors. theta energy: -1.331
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 80
Temperature: 1.350000
Total energy: -100.672925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.672925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.672925 (E_RNA)
where:
Base-Base interactions energy: -30.030
where: short stacking energy: -25.327
Base-Backbone interact. energy: -0.246
local terms energy: -70.396920
where:
bonds (distance) C4'-P energy: -19.845
bonds (distance) P-C4' energy: -12.838
flat angles C4'-P-C4' energy: -20.661
flat angles P-C4'-P energy: -13.001
tors. eta vs tors. theta energy: -4.052
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 81
Temperature: 0.900000
Total energy: -329.542822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.542822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.542822 (E_RNA)
where:
Base-Base interactions energy: -239.604
where: short stacking energy: -99.547
Base-Backbone interact. energy: -0.413
local terms energy: -89.526299
where:
bonds (distance) C4'-P energy: -18.711
bonds (distance) P-C4' energy: -14.782
flat angles C4'-P-C4' energy: -20.405
flat angles P-C4'-P energy: -12.353
tors. eta vs tors. theta energy: -23.276
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 81
Temperature: 0.950000
Total energy: -303.669837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.669837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.669837 (E_RNA)
where:
Base-Base interactions energy: -201.242
where: short stacking energy: -96.986
Base-Backbone interact. energy: -1.413
local terms energy: -101.015117
where:
bonds (distance) C4'-P energy: -21.994
bonds (distance) P-C4' energy: -15.568
flat angles C4'-P-C4' energy: -20.146
flat angles P-C4'-P energy: -13.437
tors. eta vs tors. theta energy: -29.871
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 81
Temperature: 1.000000
Total energy: -273.181767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.181767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.181767 (E_RNA)
where:
Base-Base interactions energy: -183.215
where: short stacking energy: -81.136
Base-Backbone interact. energy: -0.649
local terms energy: -89.317584
where:
bonds (distance) C4'-P energy: -18.010
bonds (distance) P-C4' energy: -18.857
flat angles C4'-P-C4' energy: -18.912
flat angles P-C4'-P energy: -13.518
tors. eta vs tors. theta energy: -20.021
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 81
Temperature: 1.050000
Total energy: -273.582775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.582775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.582775 (E_RNA)
where:
Base-Base interactions energy: -177.645
where: short stacking energy: -81.176
Base-Backbone interact. energy: -0.043
local terms energy: -95.894959
where:
bonds (distance) C4'-P energy: -17.965
bonds (distance) P-C4' energy: -21.685
flat angles C4'-P-C4' energy: -21.404
flat angles P-C4'-P energy: -15.237
tors. eta vs tors. theta energy: -19.603
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 81
Temperature: 1.100000
Total energy: -249.215655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.215655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.215655 (E_RNA)
where:
Base-Base interactions energy: -166.696
where: short stacking energy: -73.154
Base-Backbone interact. energy: -0.141
local terms energy: -82.378541
where:
bonds (distance) C4'-P energy: -18.242
bonds (distance) P-C4' energy: -19.182
flat angles C4'-P-C4' energy: -19.182
flat angles P-C4'-P energy: -13.593
tors. eta vs tors. theta energy: -12.179
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 81
Temperature: 1.150000
Total energy: -236.450793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.450793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.450793 (E_RNA)
where:
Base-Base interactions energy: -148.672
where: short stacking energy: -64.561
Base-Backbone interact. energy: -0.868
local terms energy: -86.910327
where:
bonds (distance) C4'-P energy: -19.765
bonds (distance) P-C4' energy: -19.884
flat angles C4'-P-C4' energy: -20.972
flat angles P-C4'-P energy: -14.209
tors. eta vs tors. theta energy: -12.079
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 81
Temperature: 1.200000
Total energy: -132.729109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.729109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.729109 (E_RNA)
where:
Base-Base interactions energy: -55.888
where: short stacking energy: -55.146
Base-Backbone interact. energy: -0.247
local terms energy: -76.593588
where:
bonds (distance) C4'-P energy: -15.609
bonds (distance) P-C4' energy: -20.718
flat angles C4'-P-C4' energy: -18.788
flat angles P-C4'-P energy: -13.163
tors. eta vs tors. theta energy: -8.316
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 81
Temperature: 1.250000
Total energy: -167.127308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.127308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.127308 (E_RNA)
where:
Base-Base interactions energy: -92.541
where: short stacking energy: -63.571
Base-Backbone interact. energy: -0.219
local terms energy: -74.367669
where:
bonds (distance) C4'-P energy: -16.462
bonds (distance) P-C4' energy: -21.143
flat angles C4'-P-C4' energy: -14.142
flat angles P-C4'-P energy: -10.800
tors. eta vs tors. theta energy: -11.821
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 81
Temperature: 1.300000
Total energy: -104.763936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.763936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.763936 (E_RNA)
where:
Base-Base interactions energy: -45.419
where: short stacking energy: -28.592
Base-Backbone interact. energy: -0.293
local terms energy: -59.051484
where:
bonds (distance) C4'-P energy: -12.466
bonds (distance) P-C4' energy: -23.019
flat angles C4'-P-C4' energy: -18.931
flat angles P-C4'-P energy: -8.401
tors. eta vs tors. theta energy: 3.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 81
Temperature: 1.350000
Total energy: -110.373346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.373346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.373346 (E_RNA)
where:
Base-Base interactions energy: -42.690
where: short stacking energy: -42.690
Base-Backbone interact. energy: -0.679
local terms energy: -67.004592
where:
bonds (distance) C4'-P energy: -14.350
bonds (distance) P-C4' energy: -19.607
flat angles C4'-P-C4' energy: -17.057
flat angles P-C4'-P energy: -14.954
tors. eta vs tors. theta energy: -1.036
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 82
Temperature: 0.900000
Total energy: -335.477392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.477392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.477392 (E_RNA)
where:
Base-Base interactions energy: -236.880
where: short stacking energy: -95.636
Base-Backbone interact. energy: 0.280
local terms energy: -98.878139
where:
bonds (distance) C4'-P energy: -18.656
bonds (distance) P-C4' energy: -18.981
flat angles C4'-P-C4' energy: -19.983
flat angles P-C4'-P energy: -12.646
tors. eta vs tors. theta energy: -28.613
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 82
Temperature: 0.950000
Total energy: -300.576172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.576172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.576172 (E_RNA)
where:
Base-Base interactions energy: -198.310
where: short stacking energy: -90.347
Base-Backbone interact. energy: -0.201
local terms energy: -102.065081
where:
bonds (distance) C4'-P energy: -19.712
bonds (distance) P-C4' energy: -19.137
flat angles C4'-P-C4' energy: -21.694
flat angles P-C4'-P energy: -14.206
tors. eta vs tors. theta energy: -27.316
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 82
Temperature: 1.000000
Total energy: -276.957430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.957430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.957430 (E_RNA)
where:
Base-Base interactions energy: -176.148
where: short stacking energy: -87.283
Base-Backbone interact. energy: -0.491
local terms energy: -100.317812
where:
bonds (distance) C4'-P energy: -20.712
bonds (distance) P-C4' energy: -23.191
flat angles C4'-P-C4' energy: -19.415
flat angles P-C4'-P energy: -10.493
tors. eta vs tors. theta energy: -26.506
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 82
Temperature: 1.050000
Total energy: -264.970693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.970693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.970693 (E_RNA)
where:
Base-Base interactions energy: -169.988
where: short stacking energy: -85.852
Base-Backbone interact. energy: -0.166
local terms energy: -94.816607
where:
bonds (distance) C4'-P energy: -16.016
bonds (distance) P-C4' energy: -20.330
flat angles C4'-P-C4' energy: -20.790
flat angles P-C4'-P energy: -14.475
tors. eta vs tors. theta energy: -23.205
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 82
Temperature: 1.100000
Total energy: -234.832974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.832974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.832974 (E_RNA)
where:
Base-Base interactions energy: -150.067
where: short stacking energy: -69.346
Base-Backbone interact. energy: -0.047
local terms energy: -84.718268
where:
bonds (distance) C4'-P energy: -20.548
bonds (distance) P-C4' energy: -20.261
flat angles C4'-P-C4' energy: -18.969
flat angles P-C4'-P energy: -13.524
tors. eta vs tors. theta energy: -11.417
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 82
Temperature: 1.150000
Total energy: -249.368023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.368023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.368023 (E_RNA)
where:
Base-Base interactions energy: -165.749
where: short stacking energy: -70.062
Base-Backbone interact. energy: -0.319
local terms energy: -83.300764
where:
bonds (distance) C4'-P energy: -18.612
bonds (distance) P-C4' energy: -20.534
flat angles C4'-P-C4' energy: -21.233
flat angles P-C4'-P energy: -10.791
tors. eta vs tors. theta energy: -12.131
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 82
Temperature: 1.200000
Total energy: -186.520855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.520855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.520855 (E_RNA)
where:
Base-Base interactions energy: -114.612
where: short stacking energy: -65.493
Base-Backbone interact. energy: -1.035
local terms energy: -70.873824
where:
bonds (distance) C4'-P energy: -12.316
bonds (distance) P-C4' energy: -19.199
flat angles C4'-P-C4' energy: -20.187
flat angles P-C4'-P energy: -5.340
tors. eta vs tors. theta energy: -13.831
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 82
Temperature: 1.250000
Total energy: -108.063917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.063917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.063917 (E_RNA)
where:
Base-Base interactions energy: -42.587
where: short stacking energy: -42.587
Base-Backbone interact. energy: -0.114
local terms energy: -65.362938
where:
bonds (distance) C4'-P energy: -13.140
bonds (distance) P-C4' energy: -14.180
flat angles C4'-P-C4' energy: -18.584
flat angles P-C4'-P energy: -11.523
tors. eta vs tors. theta energy: -7.936
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 82
Temperature: 1.300000
Total energy: -118.231466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.231466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.231466 (E_RNA)
where:
Base-Base interactions energy: -54.100
where: short stacking energy: -54.100
Base-Backbone interact. energy: -0.114
local terms energy: -64.017828
where:
bonds (distance) C4'-P energy: -12.926
bonds (distance) P-C4' energy: -16.777
flat angles C4'-P-C4' energy: -11.129
flat angles P-C4'-P energy: -14.222
tors. eta vs tors. theta energy: -8.964
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 82
Temperature: 1.350000
Total energy: -108.169545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.169545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.169545 (E_RNA)
where:
Base-Base interactions energy: -37.757
where: short stacking energy: -33.098
Base-Backbone interact. energy: -0.022
local terms energy: -70.390072
where:
bonds (distance) C4'-P energy: -18.859
bonds (distance) P-C4' energy: -19.527
flat angles C4'-P-C4' energy: -15.028
flat angles P-C4'-P energy: -11.670
tors. eta vs tors. theta energy: -5.306
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 83
Temperature: 0.900000
Total energy: -333.563243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.563243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.563243 (E_RNA)
where:
Base-Base interactions energy: -236.209
where: short stacking energy: -91.167
Base-Backbone interact. energy: -0.994
local terms energy: -96.359877
where:
bonds (distance) C4'-P energy: -16.221
bonds (distance) P-C4' energy: -19.546
flat angles C4'-P-C4' energy: -20.080
flat angles P-C4'-P energy: -15.495
tors. eta vs tors. theta energy: -25.017
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 83
Temperature: 0.950000
Total energy: -276.120256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.120256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.120256 (E_RNA)
where:
Base-Base interactions energy: -172.767
where: short stacking energy: -88.092
Base-Backbone interact. energy: -0.293
local terms energy: -103.060432
where:
bonds (distance) C4'-P energy: -19.182
bonds (distance) P-C4' energy: -20.944
flat angles C4'-P-C4' energy: -22.277
flat angles P-C4'-P energy: -13.476
tors. eta vs tors. theta energy: -27.182
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 83
Temperature: 1.000000
Total energy: -294.537585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.537585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.537585 (E_RNA)
where:
Base-Base interactions energy: -192.938
where: short stacking energy: -89.310
Base-Backbone interact. energy: -0.345
local terms energy: -101.254885
where:
bonds (distance) C4'-P energy: -19.170
bonds (distance) P-C4' energy: -17.794
flat angles C4'-P-C4' energy: -21.500
flat angles P-C4'-P energy: -17.240
tors. eta vs tors. theta energy: -25.551
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 83
Temperature: 1.050000
Total energy: -249.493194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.493194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.493194 (E_RNA)
where:
Base-Base interactions energy: -165.628
where: short stacking energy: -81.504
Base-Backbone interact. energy: -0.411
local terms energy: -83.454017
where:
bonds (distance) C4'-P energy: -17.336
bonds (distance) P-C4' energy: -14.877
flat angles C4'-P-C4' energy: -20.068
flat angles P-C4'-P energy: -14.511
tors. eta vs tors. theta energy: -16.662
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 83
Temperature: 1.100000
Total energy: -248.586345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.586345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.586345 (E_RNA)
where:
Base-Base interactions energy: -164.241
where: short stacking energy: -82.239
Base-Backbone interact. energy: -0.948
local terms energy: -83.398174
where:
bonds (distance) C4'-P energy: -19.632
bonds (distance) P-C4' energy: -17.017
flat angles C4'-P-C4' energy: -18.318
flat angles P-C4'-P energy: -8.757
tors. eta vs tors. theta energy: -19.673
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 83
Temperature: 1.150000
Total energy: -228.764526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.764526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.764526 (E_RNA)
where:
Base-Base interactions energy: -153.556
where: short stacking energy: -74.534
Base-Backbone interact. energy: -0.274
local terms energy: -74.934777
where:
bonds (distance) C4'-P energy: -15.646
bonds (distance) P-C4' energy: -10.575
flat angles C4'-P-C4' energy: -18.443
flat angles P-C4'-P energy: -11.849
tors. eta vs tors. theta energy: -18.422
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 83
Temperature: 1.200000
Total energy: -172.707735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.707735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.707735 (E_RNA)
where:
Base-Base interactions energy: -102.432
where: short stacking energy: -46.299
Base-Backbone interact. energy: -0.316
local terms energy: -69.959213
where:
bonds (distance) C4'-P energy: -18.512
bonds (distance) P-C4' energy: -15.789
flat angles C4'-P-C4' energy: -18.781
flat angles P-C4'-P energy: -7.673
tors. eta vs tors. theta energy: -9.204
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 83
Temperature: 1.250000
Total energy: -110.234341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.234341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.234341 (E_RNA)
where:
Base-Base interactions energy: -44.479
where: short stacking energy: -43.322
Base-Backbone interact. energy: -0.062
local terms energy: -65.693035
where:
bonds (distance) C4'-P energy: -21.401
bonds (distance) P-C4' energy: -17.481
flat angles C4'-P-C4' energy: -14.824
flat angles P-C4'-P energy: -12.116
tors. eta vs tors. theta energy: 0.128
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 83
Temperature: 1.300000
Total energy: -105.530417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.530417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.530417 (E_RNA)
where:
Base-Base interactions energy: -42.105
where: short stacking energy: -42.068
Base-Backbone interact. energy: -0.067
local terms energy: -63.358311
where:
bonds (distance) C4'-P energy: -9.177
bonds (distance) P-C4' energy: -20.661
flat angles C4'-P-C4' energy: -17.525
flat angles P-C4'-P energy: -10.662
tors. eta vs tors. theta energy: -5.333
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 83
Temperature: 1.350000
Total energy: -100.028794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.028794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.028794 (E_RNA)
where:
Base-Base interactions energy: -37.599
where: short stacking energy: -37.306
Base-Backbone interact. energy: 0.428
local terms energy: -62.857356
where:
bonds (distance) C4'-P energy: -17.183
bonds (distance) P-C4' energy: -19.390
flat angles C4'-P-C4' energy: -14.822
flat angles P-C4'-P energy: -13.157
tors. eta vs tors. theta energy: 1.695
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 84
Temperature: 0.900000
Total energy: -293.244930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.244930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.244930 (E_RNA)
where:
Base-Base interactions energy: -193.587
where: short stacking energy: -103.315
Base-Backbone interact. energy: 0.292
local terms energy: -99.949996
where:
bonds (distance) C4'-P energy: -21.210
bonds (distance) P-C4' energy: -19.860
flat angles C4'-P-C4' energy: -19.643
flat angles P-C4'-P energy: -11.085
tors. eta vs tors. theta energy: -28.152
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 84
Temperature: 0.950000
Total energy: -344.177569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.177569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.177569 (E_RNA)
where:
Base-Base interactions energy: -245.879
where: short stacking energy: -101.347
Base-Backbone interact. energy: -0.327
local terms energy: -97.971551
where:
bonds (distance) C4'-P energy: -17.566
bonds (distance) P-C4' energy: -21.030
flat angles C4'-P-C4' energy: -21.399
flat angles P-C4'-P energy: -12.513
tors. eta vs tors. theta energy: -25.464
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 84
Temperature: 1.000000
Total energy: -307.228927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.228927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.228927 (E_RNA)
where:
Base-Base interactions energy: -206.699
where: short stacking energy: -95.163
Base-Backbone interact. energy: -0.081
local terms energy: -100.448937
where:
bonds (distance) C4'-P energy: -16.115
bonds (distance) P-C4' energy: -18.680
flat angles C4'-P-C4' energy: -21.746
flat angles P-C4'-P energy: -14.577
tors. eta vs tors. theta energy: -29.331
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 84
Temperature: 1.050000
Total energy: -264.766346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.766346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.766346 (E_RNA)
where:
Base-Base interactions energy: -173.179
where: short stacking energy: -92.060
Base-Backbone interact. energy: -0.463
local terms energy: -91.124432
where:
bonds (distance) C4'-P energy: -20.349
bonds (distance) P-C4' energy: -15.717
flat angles C4'-P-C4' energy: -18.268
flat angles P-C4'-P energy: -15.286
tors. eta vs tors. theta energy: -21.505
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 84
Temperature: 1.100000
Total energy: -275.103157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.103157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.103157 (E_RNA)
where:
Base-Base interactions energy: -187.802
where: short stacking energy: -97.016
Base-Backbone interact. energy: -0.118
local terms energy: -87.183461
where:
bonds (distance) C4'-P energy: -16.341
bonds (distance) P-C4' energy: -17.922
flat angles C4'-P-C4' energy: -19.415
flat angles P-C4'-P energy: -12.112
tors. eta vs tors. theta energy: -21.394
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 84
Temperature: 1.150000
Total energy: -235.691895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.691895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.691895 (E_RNA)
where:
Base-Base interactions energy: -155.721
where: short stacking energy: -76.094
Base-Backbone interact. energy: -0.161
local terms energy: -79.809922
where:
bonds (distance) C4'-P energy: -14.474
bonds (distance) P-C4' energy: -17.091
flat angles C4'-P-C4' energy: -19.478
flat angles P-C4'-P energy: -8.729
tors. eta vs tors. theta energy: -20.038
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 84
Temperature: 1.200000
Total energy: -190.161459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.161459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.161459 (E_RNA)
where:
Base-Base interactions energy: -112.735
where: short stacking energy: -65.506
Base-Backbone interact. energy: -0.171
local terms energy: -77.256357
where:
bonds (distance) C4'-P energy: -15.563
bonds (distance) P-C4' energy: -21.977
flat angles C4'-P-C4' energy: -14.232
flat angles P-C4'-P energy: -9.792
tors. eta vs tors. theta energy: -15.691
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 84
Temperature: 1.250000
Total energy: -113.595810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.595810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.595810 (E_RNA)
where:
Base-Base interactions energy: -51.410
where: short stacking energy: -46.802
Base-Backbone interact. energy: 0.008
local terms energy: -62.194021
where:
bonds (distance) C4'-P energy: -13.347
bonds (distance) P-C4' energy: -17.301
flat angles C4'-P-C4' energy: -16.185
flat angles P-C4'-P energy: -7.239
tors. eta vs tors. theta energy: -8.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 84
Temperature: 1.300000
Total energy: -110.102330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.102330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.102330 (E_RNA)
where:
Base-Base interactions energy: -38.603
where: short stacking energy: -38.122
Base-Backbone interact. energy: -0.096
local terms energy: -71.402643
where:
bonds (distance) C4'-P energy: -18.623
bonds (distance) P-C4' energy: -16.581
flat angles C4'-P-C4' energy: -16.199
flat angles P-C4'-P energy: -10.769
tors. eta vs tors. theta energy: -9.231
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 84
Temperature: 1.350000
Total energy: -101.557995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.557995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.557995 (E_RNA)
where:
Base-Base interactions energy: -34.481
where: short stacking energy: -32.371
Base-Backbone interact. energy: -0.277
local terms energy: -66.800289
where:
bonds (distance) C4'-P energy: -12.031
bonds (distance) P-C4' energy: -20.578
flat angles C4'-P-C4' energy: -16.361
flat angles P-C4'-P energy: -12.449
tors. eta vs tors. theta energy: -5.381
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 85
Temperature: 0.900000
Total energy: -286.593868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.593868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.593868 (E_RNA)
where:
Base-Base interactions energy: -193.629
where: short stacking energy: -95.830
Base-Backbone interact. energy: -0.749
local terms energy: -92.215810
where:
bonds (distance) C4'-P energy: -21.904
bonds (distance) P-C4' energy: -19.044
flat angles C4'-P-C4' energy: -16.408
flat angles P-C4'-P energy: -9.749
tors. eta vs tors. theta energy: -25.112
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 85
Temperature: 0.950000
Total energy: -331.958573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.958573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.958573 (E_RNA)
where:
Base-Base interactions energy: -231.125
where: short stacking energy: -90.577
Base-Backbone interact. energy: -0.769
local terms energy: -100.064668
where:
bonds (distance) C4'-P energy: -22.216
bonds (distance) P-C4' energy: -16.776
flat angles C4'-P-C4' energy: -19.877
flat angles P-C4'-P energy: -16.771
tors. eta vs tors. theta energy: -24.424
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 85
Temperature: 1.000000
Total energy: -311.527948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.527948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.527948 (E_RNA)
where:
Base-Base interactions energy: -208.932
where: short stacking energy: -97.254
Base-Backbone interact. energy: -2.428
local terms energy: -100.168216
where:
bonds (distance) C4'-P energy: -19.870
bonds (distance) P-C4' energy: -21.352
flat angles C4'-P-C4' energy: -16.930
flat angles P-C4'-P energy: -17.192
tors. eta vs tors. theta energy: -24.824
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 85
Temperature: 1.050000
Total energy: -283.151498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.151498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.151498 (E_RNA)
where:
Base-Base interactions energy: -188.519
where: short stacking energy: -80.679
Base-Backbone interact. energy: -0.808
local terms energy: -93.824689
where:
bonds (distance) C4'-P energy: -21.227
bonds (distance) P-C4' energy: -19.573
flat angles C4'-P-C4' energy: -18.519
flat angles P-C4'-P energy: -14.125
tors. eta vs tors. theta energy: -20.381
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 85
Temperature: 1.100000
Total energy: -252.139080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.139080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.139080 (E_RNA)
where:
Base-Base interactions energy: -162.494
where: short stacking energy: -76.463
Base-Backbone interact. energy: -0.072
local terms energy: -89.572641
where:
bonds (distance) C4'-P energy: -18.628
bonds (distance) P-C4' energy: -16.785
flat angles C4'-P-C4' energy: -17.230
flat angles P-C4'-P energy: -16.658
tors. eta vs tors. theta energy: -20.271
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 85
Temperature: 1.150000
Total energy: -254.803162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.803162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.803162 (E_RNA)
where:
Base-Base interactions energy: -175.765
where: short stacking energy: -72.933
Base-Backbone interact. energy: -0.540
local terms energy: -78.498564
where:
bonds (distance) C4'-P energy: -18.035
bonds (distance) P-C4' energy: -16.569
flat angles C4'-P-C4' energy: -18.120
flat angles P-C4'-P energy: -11.644
tors. eta vs tors. theta energy: -14.131
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 85
Temperature: 1.200000
Total energy: -179.745412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.745412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.745412 (E_RNA)
where:
Base-Base interactions energy: -111.377
where: short stacking energy: -60.541
Base-Backbone interact. energy: -0.734
local terms energy: -67.634505
where:
bonds (distance) C4'-P energy: -20.627
bonds (distance) P-C4' energy: -21.738
flat angles C4'-P-C4' energy: -13.575
flat angles P-C4'-P energy: -5.518
tors. eta vs tors. theta energy: -6.176
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 85
Temperature: 1.250000
Total energy: -115.191849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.191849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.191849 (E_RNA)
where:
Base-Base interactions energy: -46.013
where: short stacking energy: -43.531
Base-Backbone interact. energy: -0.062
local terms energy: -69.116564
where:
bonds (distance) C4'-P energy: -13.841
bonds (distance) P-C4' energy: -18.717
flat angles C4'-P-C4' energy: -16.796
flat angles P-C4'-P energy: -13.468
tors. eta vs tors. theta energy: -6.296
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 85
Temperature: 1.300000
Total energy: -135.552448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.552448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.552448 (E_RNA)
where:
Base-Base interactions energy: -89.289
where: short stacking energy: -30.493
Base-Backbone interact. energy: 1.017
local terms energy: -47.280212
where:
bonds (distance) C4'-P energy: -12.994
bonds (distance) P-C4' energy: -12.711
flat angles C4'-P-C4' energy: -14.470
flat angles P-C4'-P energy: -10.226
tors. eta vs tors. theta energy: 3.121
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 85
Temperature: 1.350000
Total energy: -101.012012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.012012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.012012 (E_RNA)
where:
Base-Base interactions energy: -37.466
where: short stacking energy: -36.702
Base-Backbone interact. energy: 0.121
local terms energy: -63.666469
where:
bonds (distance) C4'-P energy: -15.576
bonds (distance) P-C4' energy: -21.510
flat angles C4'-P-C4' energy: -20.199
flat angles P-C4'-P energy: -4.230
tors. eta vs tors. theta energy: -2.152
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 86
Temperature: 0.900000
Total energy: -333.560431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.560431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.560431 (E_RNA)
where:
Base-Base interactions energy: -233.885
where: short stacking energy: -97.295
Base-Backbone interact. energy: -0.275
local terms energy: -99.400890
where:
bonds (distance) C4'-P energy: -20.267
bonds (distance) P-C4' energy: -20.866
flat angles C4'-P-C4' energy: -19.066
flat angles P-C4'-P energy: -14.505
tors. eta vs tors. theta energy: -24.697
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 86
Temperature: 0.950000
Total energy: -275.644808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.644808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.644808 (E_RNA)
where:
Base-Base interactions energy: -178.214
where: short stacking energy: -88.877
Base-Backbone interact. energy: -0.089
local terms energy: -97.341991
where:
bonds (distance) C4'-P energy: -18.203
bonds (distance) P-C4' energy: -21.499
flat angles C4'-P-C4' energy: -17.991
flat angles P-C4'-P energy: -15.396
tors. eta vs tors. theta energy: -24.253
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 86
Temperature: 1.000000
Total energy: -300.715685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.715685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.715685 (E_RNA)
where:
Base-Base interactions energy: -206.879
where: short stacking energy: -84.764
Base-Backbone interact. energy: -0.108
local terms energy: -93.729035
where:
bonds (distance) C4'-P energy: -15.821
bonds (distance) P-C4' energy: -20.807
flat angles C4'-P-C4' energy: -19.504
flat angles P-C4'-P energy: -14.918
tors. eta vs tors. theta energy: -22.680
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 86
Temperature: 1.050000
Total energy: -285.949879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.949879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.949879 (E_RNA)
where:
Base-Base interactions energy: -200.473
where: short stacking energy: -78.478
Base-Backbone interact. energy: -0.125
local terms energy: -85.351515
where:
bonds (distance) C4'-P energy: -19.509
bonds (distance) P-C4' energy: -18.330
flat angles C4'-P-C4' energy: -15.217
flat angles P-C4'-P energy: -11.507
tors. eta vs tors. theta energy: -20.789
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 86
Temperature: 1.100000
Total energy: -249.078749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.078749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.078749 (E_RNA)
where:
Base-Base interactions energy: -159.268
where: short stacking energy: -77.107
Base-Backbone interact. energy: -1.127
local terms energy: -88.683370
where:
bonds (distance) C4'-P energy: -16.254
bonds (distance) P-C4' energy: -21.627
flat angles C4'-P-C4' energy: -21.831
flat angles P-C4'-P energy: -12.020
tors. eta vs tors. theta energy: -16.952
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 86
Temperature: 1.150000
Total energy: -249.509008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.509008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.509008 (E_RNA)
where:
Base-Base interactions energy: -164.760
where: short stacking energy: -75.968
Base-Backbone interact. energy: -0.436
local terms energy: -84.312952
where:
bonds (distance) C4'-P energy: -14.631
bonds (distance) P-C4' energy: -20.578
flat angles C4'-P-C4' energy: -18.345
flat angles P-C4'-P energy: -12.221
tors. eta vs tors. theta energy: -18.538
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 86
Temperature: 1.200000
Total energy: -177.733967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.733967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.733967 (E_RNA)
where:
Base-Base interactions energy: -105.785
where: short stacking energy: -55.301
Base-Backbone interact. energy: -0.892
local terms energy: -71.056747
where:
bonds (distance) C4'-P energy: -14.376
bonds (distance) P-C4' energy: -20.679
flat angles C4'-P-C4' energy: -19.032
flat angles P-C4'-P energy: -9.444
tors. eta vs tors. theta energy: -7.526
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 86
Temperature: 1.250000
Total energy: -129.895537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.895537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.895537 (E_RNA)
where:
Base-Base interactions energy: -74.648
where: short stacking energy: -50.573
Base-Backbone interact. energy: -0.323
local terms energy: -54.924087
where:
bonds (distance) C4'-P energy: -15.431
bonds (distance) P-C4' energy: -16.706
flat angles C4'-P-C4' energy: -11.552
flat angles P-C4'-P energy: -10.156
tors. eta vs tors. theta energy: -1.079
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 86
Temperature: 1.300000
Total energy: -111.606049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.606049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.606049 (E_RNA)
where:
Base-Base interactions energy: -41.334
where: short stacking energy: -40.953
Base-Backbone interact. energy: -0.144
local terms energy: -70.128066
where:
bonds (distance) C4'-P energy: -17.923
bonds (distance) P-C4' energy: -19.256
flat angles C4'-P-C4' energy: -15.137
flat angles P-C4'-P energy: -8.875
tors. eta vs tors. theta energy: -8.938
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 86
Temperature: 1.350000
Total energy: -109.013015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.013015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.013015 (E_RNA)
where:
Base-Base interactions energy: -56.370
where: short stacking energy: -46.074
Base-Backbone interact. energy: -0.413
local terms energy: -52.229541
where:
bonds (distance) C4'-P energy: -16.664
bonds (distance) P-C4' energy: -13.237
flat angles C4'-P-C4' energy: -16.918
flat angles P-C4'-P energy: -3.046
tors. eta vs tors. theta energy: -2.364
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 87
Temperature: 0.900000
Total energy: -335.810847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.810847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.810847 (E_RNA)
where:
Base-Base interactions energy: -241.893
where: short stacking energy: -94.909
Base-Backbone interact. energy: -0.832
local terms energy: -93.086218
where:
bonds (distance) C4'-P energy: -18.628
bonds (distance) P-C4' energy: -16.312
flat angles C4'-P-C4' energy: -19.488
flat angles P-C4'-P energy: -13.238
tors. eta vs tors. theta energy: -25.420
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 87
Temperature: 0.950000
Total energy: -302.384426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.384426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.384426 (E_RNA)
where:
Base-Base interactions energy: -202.395
where: short stacking energy: -97.256
Base-Backbone interact. energy: -0.554
local terms energy: -99.435729
where:
bonds (distance) C4'-P energy: -20.791
bonds (distance) P-C4' energy: -17.287
flat angles C4'-P-C4' energy: -22.853
flat angles P-C4'-P energy: -12.326
tors. eta vs tors. theta energy: -26.178
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 87
Temperature: 1.000000
Total energy: -272.616766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.616766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.616766 (E_RNA)
where:
Base-Base interactions energy: -181.469
where: short stacking energy: -89.716
Base-Backbone interact. energy: -0.639
local terms energy: -90.508875
where:
bonds (distance) C4'-P energy: -17.935
bonds (distance) P-C4' energy: -19.464
flat angles C4'-P-C4' energy: -20.486
flat angles P-C4'-P energy: -12.609
tors. eta vs tors. theta energy: -20.015
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 87
Temperature: 1.050000
Total energy: -280.443309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.443309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.443309 (E_RNA)
where:
Base-Base interactions energy: -202.872
where: short stacking energy: -80.440
Base-Backbone interact. energy: 1.051
local terms energy: -78.621993
where:
bonds (distance) C4'-P energy: -16.809
bonds (distance) P-C4' energy: -19.987
flat angles C4'-P-C4' energy: -13.401
flat angles P-C4'-P energy: -11.898
tors. eta vs tors. theta energy: -16.528
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 87
Temperature: 1.100000
Total energy: -270.967052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.967052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.967052 (E_RNA)
where:
Base-Base interactions energy: -185.078
where: short stacking energy: -89.255
Base-Backbone interact. energy: -0.973
local terms energy: -84.915417
where:
bonds (distance) C4'-P energy: -16.072
bonds (distance) P-C4' energy: -16.830
flat angles C4'-P-C4' energy: -20.510
flat angles P-C4'-P energy: -9.423
tors. eta vs tors. theta energy: -22.081
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 87
Temperature: 1.150000
Total energy: -237.164584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.164584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.164584 (E_RNA)
where:
Base-Base interactions energy: -151.427
where: short stacking energy: -76.136
Base-Backbone interact. energy: -0.001
local terms energy: -85.736972
where:
bonds (distance) C4'-P energy: -16.822
bonds (distance) P-C4' energy: -19.164
flat angles C4'-P-C4' energy: -17.975
flat angles P-C4'-P energy: -8.342
tors. eta vs tors. theta energy: -23.434
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 87
Temperature: 1.200000
Total energy: -182.925051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.925051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.925051 (E_RNA)
where:
Base-Base interactions energy: -100.228
where: short stacking energy: -65.050
Base-Backbone interact. energy: -0.063
local terms energy: -82.633936
where:
bonds (distance) C4'-P energy: -15.820
bonds (distance) P-C4' energy: -17.907
flat angles C4'-P-C4' energy: -19.129
flat angles P-C4'-P energy: -12.496
tors. eta vs tors. theta energy: -17.283
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 87
Temperature: 1.250000
Total energy: -144.342793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.342793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.342793 (E_RNA)
where:
Base-Base interactions energy: -80.708
where: short stacking energy: -42.855
Base-Backbone interact. energy: -0.209
local terms energy: -63.426465
where:
bonds (distance) C4'-P energy: -14.843
bonds (distance) P-C4' energy: -21.425
flat angles C4'-P-C4' energy: -12.656
flat angles P-C4'-P energy: -7.617
tors. eta vs tors. theta energy: -6.886
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 87
Temperature: 1.300000
Total energy: -106.328554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.328554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.328554 (E_RNA)
where:
Base-Base interactions energy: -37.550
where: short stacking energy: -37.550
Base-Backbone interact. energy: -0.378
local terms energy: -68.400197
where:
bonds (distance) C4'-P energy: -20.114
bonds (distance) P-C4' energy: -21.012
flat angles C4'-P-C4' energy: -13.602
flat angles P-C4'-P energy: -12.000
tors. eta vs tors. theta energy: -1.672
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 87
Temperature: 1.350000
Total energy: -125.807339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.807339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.807339 (E_RNA)
where:
Base-Base interactions energy: -53.034
where: short stacking energy: -46.338
Base-Backbone interact. energy: -0.630
local terms energy: -72.142798
where:
bonds (distance) C4'-P energy: -18.999
bonds (distance) P-C4' energy: -15.565
flat angles C4'-P-C4' energy: -17.246
flat angles P-C4'-P energy: -12.476
tors. eta vs tors. theta energy: -7.856
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 88
Temperature: 0.900000
Total energy: -335.212424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.212424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.212424 (E_RNA)
where:
Base-Base interactions energy: -236.741
where: short stacking energy: -99.752
Base-Backbone interact. energy: -3.017
local terms energy: -95.454563
where:
bonds (distance) C4'-P energy: -14.086
bonds (distance) P-C4' energy: -20.788
flat angles C4'-P-C4' energy: -21.040
flat angles P-C4'-P energy: -15.041
tors. eta vs tors. theta energy: -24.500
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 88
Temperature: 0.950000
Total energy: -310.076079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.076079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.076079 (E_RNA)
where:
Base-Base interactions energy: -213.766
where: short stacking energy: -92.158
Base-Backbone interact. energy: -1.047
local terms energy: -95.263285
where:
bonds (distance) C4'-P energy: -17.424
bonds (distance) P-C4' energy: -22.618
flat angles C4'-P-C4' energy: -22.032
flat angles P-C4'-P energy: -11.716
tors. eta vs tors. theta energy: -21.474
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 88
Temperature: 1.000000
Total energy: -290.957440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.957440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.957440 (E_RNA)
where:
Base-Base interactions energy: -194.192
where: short stacking energy: -84.001
Base-Backbone interact. energy: -0.929
local terms energy: -95.836929
where:
bonds (distance) C4'-P energy: -18.954
bonds (distance) P-C4' energy: -18.471
flat angles C4'-P-C4' energy: -20.202
flat angles P-C4'-P energy: -13.666
tors. eta vs tors. theta energy: -24.544
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 88
Temperature: 1.050000
Total energy: -273.394650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.394650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.394650 (E_RNA)
where:
Base-Base interactions energy: -177.017
where: short stacking energy: -83.803
Base-Backbone interact. energy: -0.158
local terms energy: -96.219845
where:
bonds (distance) C4'-P energy: -20.157
bonds (distance) P-C4' energy: -21.161
flat angles C4'-P-C4' energy: -18.727
flat angles P-C4'-P energy: -16.853
tors. eta vs tors. theta energy: -19.322
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 88
Temperature: 1.100000
Total energy: -264.609041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.609041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.609041 (E_RNA)
where:
Base-Base interactions energy: -168.156
where: short stacking energy: -77.385
Base-Backbone interact. energy: -2.949
local terms energy: -93.504259
where:
bonds (distance) C4'-P energy: -17.616
bonds (distance) P-C4' energy: -17.215
flat angles C4'-P-C4' energy: -21.569
flat angles P-C4'-P energy: -13.235
tors. eta vs tors. theta energy: -23.869
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 88
Temperature: 1.150000
Total energy: -244.325497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.325497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.325497 (E_RNA)
where:
Base-Base interactions energy: -158.144
where: short stacking energy: -80.400
Base-Backbone interact. energy: -0.130
local terms energy: -86.051946
where:
bonds (distance) C4'-P energy: -21.602
bonds (distance) P-C4' energy: -15.889
flat angles C4'-P-C4' energy: -17.101
flat angles P-C4'-P energy: -11.889
tors. eta vs tors. theta energy: -19.570
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 88
Temperature: 1.200000
Total energy: -170.753484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.753484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.753484 (E_RNA)
where:
Base-Base interactions energy: -104.423
where: short stacking energy: -54.662
Base-Backbone interact. energy: -0.118
local terms energy: -66.211869
where:
bonds (distance) C4'-P energy: -15.278
bonds (distance) P-C4' energy: -11.085
flat angles C4'-P-C4' energy: -20.177
flat angles P-C4'-P energy: -9.366
tors. eta vs tors. theta energy: -10.305
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 88
Temperature: 1.250000
Total energy: -119.471763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.471763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.471763 (E_RNA)
where:
Base-Base interactions energy: -46.967
where: short stacking energy: -40.411
Base-Backbone interact. energy: -0.134
local terms energy: -72.370994
where:
bonds (distance) C4'-P energy: -18.909
bonds (distance) P-C4' energy: -19.674
flat angles C4'-P-C4' energy: -16.399
flat angles P-C4'-P energy: -10.249
tors. eta vs tors. theta energy: -7.140
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 88
Temperature: 1.300000
Total energy: -138.952627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.952627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.952627 (E_RNA)
where:
Base-Base interactions energy: -89.934
where: short stacking energy: -49.363
Base-Backbone interact. energy: -1.201
local terms energy: -47.816942
where:
bonds (distance) C4'-P energy: -13.046
bonds (distance) P-C4' energy: -14.850
flat angles C4'-P-C4' energy: -11.359
flat angles P-C4'-P energy: -5.215
tors. eta vs tors. theta energy: -3.347
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 88
Temperature: 1.350000
Total energy: -99.280569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.280569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.280569 (E_RNA)
where:
Base-Base interactions energy: -38.796
where: short stacking energy: -38.128
Base-Backbone interact. energy: -0.258
local terms energy: -60.226525
where:
bonds (distance) C4'-P energy: -15.776
bonds (distance) P-C4' energy: -20.670
flat angles C4'-P-C4' energy: -10.153
flat angles P-C4'-P energy: -11.117
tors. eta vs tors. theta energy: -2.510
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 89
Temperature: 0.900000
Total energy: -342.369773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.369773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.369773 (E_RNA)
where:
Base-Base interactions energy: -242.378
where: short stacking energy: -102.410
Base-Backbone interact. energy: -0.281
local terms energy: -99.710584
where:
bonds (distance) C4'-P energy: -18.321
bonds (distance) P-C4' energy: -22.679
flat angles C4'-P-C4' energy: -20.980
flat angles P-C4'-P energy: -12.509
tors. eta vs tors. theta energy: -25.222
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 89
Temperature: 0.950000
Total energy: -286.464341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.464341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.464341 (E_RNA)
where:
Base-Base interactions energy: -195.282
where: short stacking energy: -83.202
Base-Backbone interact. energy: -1.080
local terms energy: -90.101803
where:
bonds (distance) C4'-P energy: -16.689
bonds (distance) P-C4' energy: -18.581
flat angles C4'-P-C4' energy: -22.554
flat angles P-C4'-P energy: -10.362
tors. eta vs tors. theta energy: -21.915
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 89
Temperature: 1.000000
Total energy: -294.614600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.614600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.614600 (E_RNA)
where:
Base-Base interactions energy: -196.143
where: short stacking energy: -87.044
Base-Backbone interact. energy: -1.301
local terms energy: -97.170412
where:
bonds (distance) C4'-P energy: -19.893
bonds (distance) P-C4' energy: -17.458
flat angles C4'-P-C4' energy: -21.018
flat angles P-C4'-P energy: -15.748
tors. eta vs tors. theta energy: -23.054
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 89
Temperature: 1.050000
Total energy: -267.278944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.278944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.278944 (E_RNA)
where:
Base-Base interactions energy: -176.632
where: short stacking energy: -74.501
Base-Backbone interact. energy: -0.296
local terms energy: -90.351166
where:
bonds (distance) C4'-P energy: -17.487
bonds (distance) P-C4' energy: -19.897
flat angles C4'-P-C4' energy: -21.539
flat angles P-C4'-P energy: -14.122
tors. eta vs tors. theta energy: -17.307
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 89
Temperature: 1.100000
Total energy: -260.941997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.941997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.941997 (E_RNA)
where:
Base-Base interactions energy: -168.577
where: short stacking energy: -78.145
Base-Backbone interact. energy: 0.357
local terms energy: -92.722201
where:
bonds (distance) C4'-P energy: -19.572
bonds (distance) P-C4' energy: -20.746
flat angles C4'-P-C4' energy: -23.229
flat angles P-C4'-P energy: -12.378
tors. eta vs tors. theta energy: -16.797
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 89
Temperature: 1.150000
Total energy: -241.614437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.614437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.614437 (E_RNA)
where:
Base-Base interactions energy: -160.584
where: short stacking energy: -73.360
Base-Backbone interact. energy: -0.503
local terms energy: -80.527815
where:
bonds (distance) C4'-P energy: -19.816
bonds (distance) P-C4' energy: -14.354
flat angles C4'-P-C4' energy: -15.732
flat angles P-C4'-P energy: -10.183
tors. eta vs tors. theta energy: -20.442
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 89
Temperature: 1.200000
Total energy: -111.570837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.570837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.570837 (E_RNA)
where:
Base-Base interactions energy: -41.432
where: short stacking energy: -40.271
Base-Backbone interact. energy: -0.251
local terms energy: -69.888015
where:
bonds (distance) C4'-P energy: -14.714
bonds (distance) P-C4' energy: -17.227
flat angles C4'-P-C4' energy: -20.176
flat angles P-C4'-P energy: -10.540
tors. eta vs tors. theta energy: -7.231
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 89
Temperature: 1.250000
Total energy: -105.421869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.421869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.421869 (E_RNA)
where:
Base-Base interactions energy: -40.257
where: short stacking energy: -39.317
Base-Backbone interact. energy: -0.214
local terms energy: -64.951505
where:
bonds (distance) C4'-P energy: -15.945
bonds (distance) P-C4' energy: -20.758
flat angles C4'-P-C4' energy: -16.199
flat angles P-C4'-P energy: -11.141
tors. eta vs tors. theta energy: -0.908
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 89
Temperature: 1.300000
Total energy: -113.776843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.776843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.776843 (E_RNA)
where:
Base-Base interactions energy: -54.994
where: short stacking energy: -43.032
Base-Backbone interact. energy: -0.794
local terms energy: -57.989119
where:
bonds (distance) C4'-P energy: -18.494
bonds (distance) P-C4' energy: -17.844
flat angles C4'-P-C4' energy: -15.910
flat angles P-C4'-P energy: -3.901
tors. eta vs tors. theta energy: -1.840
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 89
Temperature: 1.350000
Total energy: -93.590857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.590857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.590857 (E_RNA)
where:
Base-Base interactions energy: -31.909
where: short stacking energy: -31.909
Base-Backbone interact. energy: 1.481
local terms energy: -63.162881
where:
bonds (distance) C4'-P energy: -16.197
bonds (distance) P-C4' energy: -17.738
flat angles C4'-P-C4' energy: -16.154
flat angles P-C4'-P energy: -10.941
tors. eta vs tors. theta energy: -2.133
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 90
Temperature: 0.900000
Total energy: -339.099301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.099301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.099301 (E_RNA)
where:
Base-Base interactions energy: -241.093
where: short stacking energy: -98.508
Base-Backbone interact. energy: 0.453
local terms energy: -98.458755
where:
bonds (distance) C4'-P energy: -16.788
bonds (distance) P-C4' energy: -21.545
flat angles C4'-P-C4' energy: -22.154
flat angles P-C4'-P energy: -11.946
tors. eta vs tors. theta energy: -26.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 90
Temperature: 0.950000
Total energy: -301.136563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.136563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.136563 (E_RNA)
where:
Base-Base interactions energy: -202.625
where: short stacking energy: -89.122
Base-Backbone interact. energy: -0.103
local terms energy: -98.408201
where:
bonds (distance) C4'-P energy: -17.347
bonds (distance) P-C4' energy: -23.639
flat angles C4'-P-C4' energy: -19.314
flat angles P-C4'-P energy: -15.564
tors. eta vs tors. theta energy: -22.543
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 90
Temperature: 1.000000
Total energy: -258.749167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.749167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.749167 (E_RNA)
where:
Base-Base interactions energy: -164.830
where: short stacking energy: -82.549
Base-Backbone interact. energy: -1.099
local terms energy: -92.820152
where:
bonds (distance) C4'-P energy: -22.303
bonds (distance) P-C4' energy: -22.370
flat angles C4'-P-C4' energy: -19.839
flat angles P-C4'-P energy: -12.402
tors. eta vs tors. theta energy: -15.905
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 90
Temperature: 1.050000
Total energy: -278.423939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.423939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.423939 (E_RNA)
where:
Base-Base interactions energy: -191.522
where: short stacking energy: -87.551
Base-Backbone interact. energy: -1.333
local terms energy: -85.569098
where:
bonds (distance) C4'-P energy: -19.347
bonds (distance) P-C4' energy: -17.228
flat angles C4'-P-C4' energy: -19.565
flat angles P-C4'-P energy: -7.306
tors. eta vs tors. theta energy: -22.123
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 90
Temperature: 1.100000
Total energy: -256.522717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.522717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.522717 (E_RNA)
where:
Base-Base interactions energy: -173.524
where: short stacking energy: -81.744
Base-Backbone interact. energy: -0.006
local terms energy: -82.992814
where:
bonds (distance) C4'-P energy: -18.742
bonds (distance) P-C4' energy: -18.255
flat angles C4'-P-C4' energy: -14.371
flat angles P-C4'-P energy: -9.345
tors. eta vs tors. theta energy: -22.280
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 90
Temperature: 1.150000
Total energy: -247.285282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.285282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.285282 (E_RNA)
where:
Base-Base interactions energy: -166.302
where: short stacking energy: -63.079
Base-Backbone interact. energy: -0.183
local terms energy: -80.799994
where:
bonds (distance) C4'-P energy: -20.507
bonds (distance) P-C4' energy: -19.181
flat angles C4'-P-C4' energy: -18.805
flat angles P-C4'-P energy: -6.709
tors. eta vs tors. theta energy: -15.598
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 90
Temperature: 1.200000
Total energy: -138.982681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.982681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.982681 (E_RNA)
where:
Base-Base interactions energy: -66.770
where: short stacking energy: -48.998
Base-Backbone interact. energy: -2.271
local terms energy: -69.942039
where:
bonds (distance) C4'-P energy: -19.865
bonds (distance) P-C4' energy: -21.436
flat angles C4'-P-C4' energy: -13.843
flat angles P-C4'-P energy: -12.242
tors. eta vs tors. theta energy: -2.556
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 90
Temperature: 1.250000
Total energy: -110.138197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.138197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.138197 (E_RNA)
where:
Base-Base interactions energy: -44.434
where: short stacking energy: -44.434
Base-Backbone interact. energy: -0.056
local terms energy: -65.648061
where:
bonds (distance) C4'-P energy: -12.571
bonds (distance) P-C4' energy: -18.579
flat angles C4'-P-C4' energy: -18.196
flat angles P-C4'-P energy: -14.777
tors. eta vs tors. theta energy: -1.526
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 90
Temperature: 1.300000
Total energy: -114.499663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.499663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.499663 (E_RNA)
where:
Base-Base interactions energy: -48.731
where: short stacking energy: -47.841
Base-Backbone interact. energy: 0.016
local terms energy: -65.783987
where:
bonds (distance) C4'-P energy: -18.701
bonds (distance) P-C4' energy: -12.472
flat angles C4'-P-C4' energy: -13.951
flat angles P-C4'-P energy: -12.343
tors. eta vs tors. theta energy: -8.317
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 90
Temperature: 1.350000
Total energy: -101.397655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.397655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.397655 (E_RNA)
where:
Base-Base interactions energy: -36.045
where: short stacking energy: -31.486
Base-Backbone interact. energy: -0.357
local terms energy: -64.995691
where:
bonds (distance) C4'-P energy: -18.669
bonds (distance) P-C4' energy: -20.931
flat angles C4'-P-C4' energy: -13.464
flat angles P-C4'-P energy: -8.742
tors. eta vs tors. theta energy: -3.189
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 91
Temperature: 0.900000
Total energy: -338.024158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.024158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.024158 (E_RNA)
where:
Base-Base interactions energy: -246.008
where: short stacking energy: -104.024
Base-Backbone interact. energy: -0.751
local terms energy: -91.264973
where:
bonds (distance) C4'-P energy: -16.019
bonds (distance) P-C4' energy: -19.364
flat angles C4'-P-C4' energy: -19.097
flat angles P-C4'-P energy: -15.088
tors. eta vs tors. theta energy: -21.697
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 91
Temperature: 0.950000
Total energy: -307.192736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.192736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.192736 (E_RNA)
where:
Base-Base interactions energy: -209.776
where: short stacking energy: -91.376
Base-Backbone interact. energy: -0.155
local terms energy: -97.261987
where:
bonds (distance) C4'-P energy: -14.866
bonds (distance) P-C4' energy: -23.427
flat angles C4'-P-C4' energy: -20.982
flat angles P-C4'-P energy: -15.340
tors. eta vs tors. theta energy: -22.647
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 91
Temperature: 1.000000
Total energy: -270.407648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.407648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.407648 (E_RNA)
where:
Base-Base interactions energy: -181.840
where: short stacking energy: -85.757
Base-Backbone interact. energy: -0.318
local terms energy: -88.249680
where:
bonds (distance) C4'-P energy: -15.970
bonds (distance) P-C4' energy: -20.605
flat angles C4'-P-C4' energy: -20.824
flat angles P-C4'-P energy: -11.176
tors. eta vs tors. theta energy: -19.674
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 91
Temperature: 1.050000
Total energy: -279.090241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.090241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.090241 (E_RNA)
where:
Base-Base interactions energy: -192.021
where: short stacking energy: -75.131
Base-Backbone interact. energy: -0.871
local terms energy: -86.197838
where:
bonds (distance) C4'-P energy: -14.668
bonds (distance) P-C4' energy: -21.489
flat angles C4'-P-C4' energy: -16.186
flat angles P-C4'-P energy: -15.843
tors. eta vs tors. theta energy: -18.012
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 91
Temperature: 1.100000
Total energy: -246.931306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.931306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.931306 (E_RNA)
where:
Base-Base interactions energy: -166.228
where: short stacking energy: -71.212
Base-Backbone interact. energy: -0.340
local terms energy: -80.363999
where:
bonds (distance) C4'-P energy: -11.023
bonds (distance) P-C4' energy: -17.182
flat angles C4'-P-C4' energy: -20.011
flat angles P-C4'-P energy: -13.139
tors. eta vs tors. theta energy: -19.010
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 91
Temperature: 1.150000
Total energy: -257.932958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.932958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.932958 (E_RNA)
where:
Base-Base interactions energy: -182.319
where: short stacking energy: -75.416
Base-Backbone interact. energy: -0.587
local terms energy: -75.027163
where:
bonds (distance) C4'-P energy: -11.261
bonds (distance) P-C4' energy: -19.114
flat angles C4'-P-C4' energy: -18.169
flat angles P-C4'-P energy: -11.083
tors. eta vs tors. theta energy: -15.399
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 91
Temperature: 1.200000
Total energy: -181.259402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.259402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.259402 (E_RNA)
where:
Base-Base interactions energy: -100.546
where: short stacking energy: -50.794
Base-Backbone interact. energy: -2.013
local terms energy: -78.700919
where:
bonds (distance) C4'-P energy: -18.146
bonds (distance) P-C4' energy: -19.753
flat angles C4'-P-C4' energy: -17.022
flat angles P-C4'-P energy: -14.367
tors. eta vs tors. theta energy: -9.413
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 91
Temperature: 1.250000
Total energy: -120.352687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.352687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.352687 (E_RNA)
where:
Base-Base interactions energy: -46.455
where: short stacking energy: -37.955
Base-Backbone interact. energy: 0.343
local terms energy: -74.240442
where:
bonds (distance) C4'-P energy: -22.507
bonds (distance) P-C4' energy: -17.852
flat angles C4'-P-C4' energy: -14.971
flat angles P-C4'-P energy: -13.713
tors. eta vs tors. theta energy: -5.198
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 91
Temperature: 1.300000
Total energy: -117.570056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.570056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.570056 (E_RNA)
where:
Base-Base interactions energy: -46.896
where: short stacking energy: -41.590
Base-Backbone interact. energy: -0.194
local terms energy: -70.480359
where:
bonds (distance) C4'-P energy: -16.429
bonds (distance) P-C4' energy: -16.220
flat angles C4'-P-C4' energy: -18.215
flat angles P-C4'-P energy: -10.196
tors. eta vs tors. theta energy: -9.421
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 91
Temperature: 1.350000
Total energy: -118.741253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.741253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.741253 (E_RNA)
where:
Base-Base interactions energy: -61.108
where: short stacking energy: -47.597
Base-Backbone interact. energy: -0.306
local terms energy: -57.327393
where:
bonds (distance) C4'-P energy: -18.904
bonds (distance) P-C4' energy: -19.703
flat angles C4'-P-C4' energy: -6.088
flat angles P-C4'-P energy: -8.843
tors. eta vs tors. theta energy: -3.789
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 92
Temperature: 0.900000
Total energy: -308.735119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.735119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.735119 (E_RNA)
where:
Base-Base interactions energy: -204.849
where: short stacking energy: -86.378
Base-Backbone interact. energy: -1.120
local terms energy: -102.765691
where:
bonds (distance) C4'-P energy: -23.072
bonds (distance) P-C4' energy: -17.760
flat angles C4'-P-C4' energy: -20.407
flat angles P-C4'-P energy: -17.062
tors. eta vs tors. theta energy: -24.464
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 92
Temperature: 0.950000
Total energy: -321.242864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.242864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.242864 (E_RNA)
where:
Base-Base interactions energy: -219.393
where: short stacking energy: -83.934
Base-Backbone interact. energy: -0.614
local terms energy: -101.235854
where:
bonds (distance) C4'-P energy: -21.765
bonds (distance) P-C4' energy: -19.311
flat angles C4'-P-C4' energy: -18.837
flat angles P-C4'-P energy: -16.000
tors. eta vs tors. theta energy: -25.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 92
Temperature: 1.000000
Total energy: -283.271955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.271955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.271955 (E_RNA)
where:
Base-Base interactions energy: -192.459
where: short stacking energy: -83.287
Base-Backbone interact. energy: -0.569
local terms energy: -90.243893
where:
bonds (distance) C4'-P energy: -17.845
bonds (distance) P-C4' energy: -14.354
flat angles C4'-P-C4' energy: -20.803
flat angles P-C4'-P energy: -17.289
tors. eta vs tors. theta energy: -19.954
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 92
Temperature: 1.050000
Total energy: -262.854268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.854268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.854268 (E_RNA)
where:
Base-Base interactions energy: -178.913
where: short stacking energy: -83.328
Base-Backbone interact. energy: -0.275
local terms energy: -83.666146
where:
bonds (distance) C4'-P energy: -18.730
bonds (distance) P-C4' energy: -17.874
flat angles C4'-P-C4' energy: -19.619
flat angles P-C4'-P energy: -11.629
tors. eta vs tors. theta energy: -15.813
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 92
Temperature: 1.100000
Total energy: -253.565063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.565063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.565063 (E_RNA)
where:
Base-Base interactions energy: -170.226
where: short stacking energy: -61.421
Base-Backbone interact. energy: -0.315
local terms energy: -83.024386
where:
bonds (distance) C4'-P energy: -21.575
bonds (distance) P-C4' energy: -15.308
flat angles C4'-P-C4' energy: -21.579
flat angles P-C4'-P energy: -7.452
tors. eta vs tors. theta energy: -17.110
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 92
Temperature: 1.150000
Total energy: -236.652373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.652373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.652373 (E_RNA)
where:
Base-Base interactions energy: -164.014
where: short stacking energy: -60.344
Base-Backbone interact. energy: -0.185
local terms energy: -72.453933
where:
bonds (distance) C4'-P energy: -17.296
bonds (distance) P-C4' energy: -17.834
flat angles C4'-P-C4' energy: -19.572
flat angles P-C4'-P energy: -5.070
tors. eta vs tors. theta energy: -12.683
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 92
Temperature: 1.200000
Total energy: -176.380984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.380984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.380984 (E_RNA)
where:
Base-Base interactions energy: -110.993
where: short stacking energy: -55.414
Base-Backbone interact. energy: -0.636
local terms energy: -64.751654
where:
bonds (distance) C4'-P energy: -16.521
bonds (distance) P-C4' energy: -15.054
flat angles C4'-P-C4' energy: -17.918
flat angles P-C4'-P energy: -6.244
tors. eta vs tors. theta energy: -9.015
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 92
Temperature: 1.250000
Total energy: -125.069842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.069842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.069842 (E_RNA)
where:
Base-Base interactions energy: -53.750
where: short stacking energy: -40.008
Base-Backbone interact. energy: 0.040
local terms energy: -71.359852
where:
bonds (distance) C4'-P energy: -14.486
bonds (distance) P-C4' energy: -18.561
flat angles C4'-P-C4' energy: -18.214
flat angles P-C4'-P energy: -15.981
tors. eta vs tors. theta energy: -4.117
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 92
Temperature: 1.300000
Total energy: -117.750344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.750344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.750344 (E_RNA)
where:
Base-Base interactions energy: -47.788
where: short stacking energy: -38.019
Base-Backbone interact. energy: -0.922
local terms energy: -69.039993
where:
bonds (distance) C4'-P energy: -17.600
bonds (distance) P-C4' energy: -14.792
flat angles C4'-P-C4' energy: -13.498
flat angles P-C4'-P energy: -12.974
tors. eta vs tors. theta energy: -10.176
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 92
Temperature: 1.350000
Total energy: -99.633431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.633431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.633431 (E_RNA)
where:
Base-Base interactions energy: -30.142
where: short stacking energy: -19.737
Base-Backbone interact. energy: -0.084
local terms energy: -69.407376
where:
bonds (distance) C4'-P energy: -20.030
bonds (distance) P-C4' energy: -20.442
flat angles C4'-P-C4' energy: -17.126
flat angles P-C4'-P energy: -11.179
tors. eta vs tors. theta energy: -0.630
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 93
Temperature: 0.900000
Total energy: -310.863445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.863445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.863445 (E_RNA)
where:
Base-Base interactions energy: -219.378
where: short stacking energy: -94.864
Base-Backbone interact. energy: 0.786
local terms energy: -92.271252
where:
bonds (distance) C4'-P energy: -19.232
bonds (distance) P-C4' energy: -19.671
flat angles C4'-P-C4' energy: -21.681
flat angles P-C4'-P energy: -13.056
tors. eta vs tors. theta energy: -18.631
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 93
Temperature: 0.950000
Total energy: -329.035521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.035521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.035521 (E_RNA)
where:
Base-Base interactions energy: -238.022
where: short stacking energy: -95.462
Base-Backbone interact. energy: -0.383
local terms energy: -90.631503
where:
bonds (distance) C4'-P energy: -17.464
bonds (distance) P-C4' energy: -17.484
flat angles C4'-P-C4' energy: -18.567
flat angles P-C4'-P energy: -12.595
tors. eta vs tors. theta energy: -24.521
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 93
Temperature: 1.000000
Total energy: -280.965022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.965022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.965022 (E_RNA)
where:
Base-Base interactions energy: -197.230
where: short stacking energy: -76.592
Base-Backbone interact. energy: -0.643
local terms energy: -83.092036
where:
bonds (distance) C4'-P energy: -19.873
bonds (distance) P-C4' energy: -21.887
flat angles C4'-P-C4' energy: -15.971
flat angles P-C4'-P energy: -11.993
tors. eta vs tors. theta energy: -13.368
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 93
Temperature: 1.050000
Total energy: -278.606957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.606957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.606957 (E_RNA)
where:
Base-Base interactions energy: -185.705
where: short stacking energy: -83.241
Base-Backbone interact. energy: 0.297
local terms energy: -93.199024
where:
bonds (distance) C4'-P energy: -18.884
bonds (distance) P-C4' energy: -19.308
flat angles C4'-P-C4' energy: -19.553
flat angles P-C4'-P energy: -14.314
tors. eta vs tors. theta energy: -21.140
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 93
Temperature: 1.100000
Total energy: -255.275526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.275526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.275526 (E_RNA)
where:
Base-Base interactions energy: -170.405
where: short stacking energy: -78.619
Base-Backbone interact. energy: -0.343
local terms energy: -84.527192
where:
bonds (distance) C4'-P energy: -18.097
bonds (distance) P-C4' energy: -17.485
flat angles C4'-P-C4' energy: -16.560
flat angles P-C4'-P energy: -14.320
tors. eta vs tors. theta energy: -18.065
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 93
Temperature: 1.150000
Total energy: -242.057257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.057257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.057257 (E_RNA)
where:
Base-Base interactions energy: -168.926
where: short stacking energy: -71.797
Base-Backbone interact. energy: -0.205
local terms energy: -72.925648
where:
bonds (distance) C4'-P energy: -17.190
bonds (distance) P-C4' energy: -14.614
flat angles C4'-P-C4' energy: -18.935
flat angles P-C4'-P energy: -7.907
tors. eta vs tors. theta energy: -14.279
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 93
Temperature: 1.200000
Total energy: -151.774204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.774204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.774204 (E_RNA)
where:
Base-Base interactions energy: -77.483
where: short stacking energy: -45.830
Base-Backbone interact. energy: -1.031
local terms energy: -73.260023
where:
bonds (distance) C4'-P energy: -21.289
bonds (distance) P-C4' energy: -16.974
flat angles C4'-P-C4' energy: -18.672
flat angles P-C4'-P energy: -9.507
tors. eta vs tors. theta energy: -6.818
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 93
Temperature: 1.250000
Total energy: -122.094680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.094680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.094680 (E_RNA)
where:
Base-Base interactions energy: -66.375
where: short stacking energy: -43.080
Base-Backbone interact. energy: -0.084
local terms energy: -55.635267
where:
bonds (distance) C4'-P energy: -17.090
bonds (distance) P-C4' energy: -6.910
flat angles C4'-P-C4' energy: -16.449
flat angles P-C4'-P energy: -7.676
tors. eta vs tors. theta energy: -7.510
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 93
Temperature: 1.300000
Total energy: -166.930656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.930656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.930656 (E_RNA)
where:
Base-Base interactions energy: -99.980
where: short stacking energy: -47.243
Base-Backbone interact. energy: 0.321
local terms energy: -67.272086
where:
bonds (distance) C4'-P energy: -14.595
bonds (distance) P-C4' energy: -22.199
flat angles C4'-P-C4' energy: -12.439
flat angles P-C4'-P energy: -9.064
tors. eta vs tors. theta energy: -8.975
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 93
Temperature: 1.350000
Total energy: -122.627121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.627121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.627121 (E_RNA)
where:
Base-Base interactions energy: -67.150
where: short stacking energy: -31.541
Base-Backbone interact. energy: -0.520
local terms energy: -54.957324
where:
bonds (distance) C4'-P energy: -15.526
bonds (distance) P-C4' energy: -18.713
flat angles C4'-P-C4' energy: -12.264
flat angles P-C4'-P energy: -10.409
tors. eta vs tors. theta energy: 1.954
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 94
Temperature: 0.900000
Total energy: -331.042088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.042088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.042088 (E_RNA)
where:
Base-Base interactions energy: -238.140
where: short stacking energy: -96.054
Base-Backbone interact. energy: -0.853
local terms energy: -92.049759
where:
bonds (distance) C4'-P energy: -15.461
bonds (distance) P-C4' energy: -20.866
flat angles C4'-P-C4' energy: -19.446
flat angles P-C4'-P energy: -15.137
tors. eta vs tors. theta energy: -21.139
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 94
Temperature: 0.950000
Total energy: -305.573693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.573693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.573693 (E_RNA)
where:
Base-Base interactions energy: -209.405
where: short stacking energy: -89.523
Base-Backbone interact. energy: -0.103
local terms energy: -96.065687
where:
bonds (distance) C4'-P energy: -22.121
bonds (distance) P-C4' energy: -17.544
flat angles C4'-P-C4' energy: -20.397
flat angles P-C4'-P energy: -15.984
tors. eta vs tors. theta energy: -20.020
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 94
Temperature: 1.000000
Total energy: -276.033094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.033094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.033094 (E_RNA)
where:
Base-Base interactions energy: -179.952
where: short stacking energy: -88.700
Base-Backbone interact. energy: -0.599
local terms energy: -95.482389
where:
bonds (distance) C4'-P energy: -20.904
bonds (distance) P-C4' energy: -19.358
flat angles C4'-P-C4' energy: -21.229
flat angles P-C4'-P energy: -10.789
tors. eta vs tors. theta energy: -23.203
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 94
Temperature: 1.050000
Total energy: -279.443113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.443113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.443113 (E_RNA)
where:
Base-Base interactions energy: -196.252
where: short stacking energy: -81.502
Base-Backbone interact. energy: 1.473
local terms energy: -84.663775
where:
bonds (distance) C4'-P energy: -18.058
bonds (distance) P-C4' energy: -19.722
flat angles C4'-P-C4' energy: -15.747
flat angles P-C4'-P energy: -13.930
tors. eta vs tors. theta energy: -17.206
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 94
Temperature: 1.100000
Total energy: -248.958929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.958929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.958929 (E_RNA)
where:
Base-Base interactions energy: -158.726
where: short stacking energy: -81.398
Base-Backbone interact. energy: -0.389
local terms energy: -89.844485
where:
bonds (distance) C4'-P energy: -21.728
bonds (distance) P-C4' energy: -17.221
flat angles C4'-P-C4' energy: -19.593
flat angles P-C4'-P energy: -14.693
tors. eta vs tors. theta energy: -16.609
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 94
Temperature: 1.150000
Total energy: -252.605347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.605347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.605347 (E_RNA)
where:
Base-Base interactions energy: -163.876
where: short stacking energy: -73.218
Base-Backbone interact. energy: -0.811
local terms energy: -87.918119
where:
bonds (distance) C4'-P energy: -15.456
bonds (distance) P-C4' energy: -17.944
flat angles C4'-P-C4' energy: -21.349
flat angles P-C4'-P energy: -10.592
tors. eta vs tors. theta energy: -22.578
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 94
Temperature: 1.200000
Total energy: -131.030376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.030376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.030376 (E_RNA)
where:
Base-Base interactions energy: -68.118
where: short stacking energy: -51.531
Base-Backbone interact. energy: -0.107
local terms energy: -62.804661
where:
bonds (distance) C4'-P energy: -19.285
bonds (distance) P-C4' energy: -16.054
flat angles C4'-P-C4' energy: -12.785
flat angles P-C4'-P energy: -11.510
tors. eta vs tors. theta energy: -3.171
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 94
Temperature: 1.250000
Total energy: -112.274829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.274829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.274829 (E_RNA)
where:
Base-Base interactions energy: -45.796
where: short stacking energy: -40.107
Base-Backbone interact. energy: -0.377
local terms energy: -66.101807
where:
bonds (distance) C4'-P energy: -16.843
bonds (distance) P-C4' energy: -19.007
flat angles C4'-P-C4' energy: -18.635
flat angles P-C4'-P energy: -8.367
tors. eta vs tors. theta energy: -3.250
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 94
Temperature: 1.300000
Total energy: -178.662242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.662242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.662242 (E_RNA)
where:
Base-Base interactions energy: -105.024
where: short stacking energy: -61.095
Base-Backbone interact. energy: -0.259
local terms energy: -73.378984
where:
bonds (distance) C4'-P energy: -13.530
bonds (distance) P-C4' energy: -17.795
flat angles C4'-P-C4' energy: -17.748
flat angles P-C4'-P energy: -10.621
tors. eta vs tors. theta energy: -13.685
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 94
Temperature: 1.350000
Total energy: -102.219466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.219466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.219466 (E_RNA)
where:
Base-Base interactions energy: -40.674
where: short stacking energy: -36.875
Base-Backbone interact. energy: -0.246
local terms energy: -61.299673
where:
bonds (distance) C4'-P energy: -12.234
bonds (distance) P-C4' energy: -16.545
flat angles C4'-P-C4' energy: -19.555
flat angles P-C4'-P energy: -13.607
tors. eta vs tors. theta energy: 0.641
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 95
Temperature: 0.900000
Total energy: -338.236787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.236787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.236787 (E_RNA)
where:
Base-Base interactions energy: -242.799
where: short stacking energy: -98.262
Base-Backbone interact. energy: -0.582
local terms energy: -94.855526
where:
bonds (distance) C4'-P energy: -16.260
bonds (distance) P-C4' energy: -19.271
flat angles C4'-P-C4' energy: -21.933
flat angles P-C4'-P energy: -14.397
tors. eta vs tors. theta energy: -22.996
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 95
Temperature: 0.950000
Total energy: -303.299591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.299591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.299591 (E_RNA)
where:
Base-Base interactions energy: -219.266
where: short stacking energy: -98.740
Base-Backbone interact. energy: -0.602
local terms energy: -83.432419
where:
bonds (distance) C4'-P energy: -18.528
bonds (distance) P-C4' energy: -13.613
flat angles C4'-P-C4' energy: -14.657
flat angles P-C4'-P energy: -11.460
tors. eta vs tors. theta energy: -25.174
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 95
Temperature: 1.000000
Total energy: -264.789800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.789800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.789800 (E_RNA)
where:
Base-Base interactions energy: -170.787
where: short stacking energy: -73.608
Base-Backbone interact. energy: 0.600
local terms energy: -94.602742
where:
bonds (distance) C4'-P energy: -19.465
bonds (distance) P-C4' energy: -21.427
flat angles C4'-P-C4' energy: -22.037
flat angles P-C4'-P energy: -11.653
tors. eta vs tors. theta energy: -20.021
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 95
Temperature: 1.050000
Total energy: -274.765389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.765389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.765389 (E_RNA)
where:
Base-Base interactions energy: -178.658
where: short stacking energy: -69.574
Base-Backbone interact. energy: -1.776
local terms energy: -94.331969
where:
bonds (distance) C4'-P energy: -21.347
bonds (distance) P-C4' energy: -22.665
flat angles C4'-P-C4' energy: -20.252
flat angles P-C4'-P energy: -12.201
tors. eta vs tors. theta energy: -17.868
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 95
Temperature: 1.100000
Total energy: -233.970692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.970692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.970692 (E_RNA)
where:
Base-Base interactions energy: -152.483
where: short stacking energy: -78.147
Base-Backbone interact. energy: 0.531
local terms energy: -82.019167
where:
bonds (distance) C4'-P energy: -15.538
bonds (distance) P-C4' energy: -20.707
flat angles C4'-P-C4' energy: -17.571
flat angles P-C4'-P energy: -10.355
tors. eta vs tors. theta energy: -17.849
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 95
Temperature: 1.150000
Total energy: -263.608163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.608163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.608163 (E_RNA)
where:
Base-Base interactions energy: -174.064
where: short stacking energy: -67.508
Base-Backbone interact. energy: 1.158
local terms energy: -90.702392
where:
bonds (distance) C4'-P energy: -20.267
bonds (distance) P-C4' energy: -22.997
flat angles C4'-P-C4' energy: -20.950
flat angles P-C4'-P energy: -10.253
tors. eta vs tors. theta energy: -16.235
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 95
Temperature: 1.200000
Total energy: -142.355471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.355471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.355471 (E_RNA)
where:
Base-Base interactions energy: -63.999
where: short stacking energy: -63.999
Base-Backbone interact. energy: -0.059
local terms energy: -78.297226
where:
bonds (distance) C4'-P energy: -19.263
bonds (distance) P-C4' energy: -19.174
flat angles C4'-P-C4' energy: -18.009
flat angles P-C4'-P energy: -9.037
tors. eta vs tors. theta energy: -12.814
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 95
Temperature: 1.250000
Total energy: -198.448363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.448363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.448363 (E_RNA)
where:
Base-Base interactions energy: -130.742
where: short stacking energy: -68.669
Base-Backbone interact. energy: -1.348
local terms energy: -66.358331
where:
bonds (distance) C4'-P energy: -13.002
bonds (distance) P-C4' energy: -15.787
flat angles C4'-P-C4' energy: -14.083
flat angles P-C4'-P energy: -7.763
tors. eta vs tors. theta energy: -15.723
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 95
Temperature: 1.300000
Total energy: -138.453567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.453567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.453567 (E_RNA)
where:
Base-Base interactions energy: -74.650
where: short stacking energy: -39.930
Base-Backbone interact. energy: 1.508
local terms energy: -65.311781
where:
bonds (distance) C4'-P energy: -19.438
bonds (distance) P-C4' energy: -20.017
flat angles C4'-P-C4' energy: -14.908
flat angles P-C4'-P energy: -6.334
tors. eta vs tors. theta energy: -4.614
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 95
Temperature: 1.350000
Total energy: -94.451194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.451194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.451194 (E_RNA)
where:
Base-Base interactions energy: -47.628
where: short stacking energy: -29.353
Base-Backbone interact. energy: -0.393
local terms energy: -46.430481
where:
bonds (distance) C4'-P energy: -8.078
bonds (distance) P-C4' energy: -18.279
flat angles C4'-P-C4' energy: -18.160
flat angles P-C4'-P energy: -3.148
tors. eta vs tors. theta energy: 1.234
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 96
Temperature: 0.900000
Total energy: -338.334278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.334278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.334278 (E_RNA)
where:
Base-Base interactions energy: -236.423
where: short stacking energy: -99.567
Base-Backbone interact. energy: -0.090
local terms energy: -101.820876
where:
bonds (distance) C4'-P energy: -19.245
bonds (distance) P-C4' energy: -21.130
flat angles C4'-P-C4' energy: -20.401
flat angles P-C4'-P energy: -16.344
tors. eta vs tors. theta energy: -24.701
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 96
Temperature: 0.950000
Total energy: -303.364449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.364449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.364449 (E_RNA)
where:
Base-Base interactions energy: -198.548
where: short stacking energy: -89.063
Base-Backbone interact. energy: -0.638
local terms energy: -104.178399
where:
bonds (distance) C4'-P energy: -20.317
bonds (distance) P-C4' energy: -19.985
flat angles C4'-P-C4' energy: -23.861
flat angles P-C4'-P energy: -15.481
tors. eta vs tors. theta energy: -24.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 96
Temperature: 1.000000
Total energy: -291.415772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.415772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.415772 (E_RNA)
where:
Base-Base interactions energy: -199.302
where: short stacking energy: -88.173
Base-Backbone interact. energy: -1.823
local terms energy: -90.291421
where:
bonds (distance) C4'-P energy: -16.457
bonds (distance) P-C4' energy: -18.201
flat angles C4'-P-C4' energy: -18.622
flat angles P-C4'-P energy: -15.138
tors. eta vs tors. theta energy: -21.874
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 96
Temperature: 1.050000
Total energy: -271.909519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.909519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.909519 (E_RNA)
where:
Base-Base interactions energy: -180.762
where: short stacking energy: -73.459
Base-Backbone interact. energy: 0.380
local terms energy: -91.527663
where:
bonds (distance) C4'-P energy: -17.946
bonds (distance) P-C4' energy: -21.366
flat angles C4'-P-C4' energy: -21.435
flat angles P-C4'-P energy: -12.471
tors. eta vs tors. theta energy: -18.310
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 96
Temperature: 1.100000
Total energy: -260.173547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.173547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.173547 (E_RNA)
where:
Base-Base interactions energy: -166.754
where: short stacking energy: -75.326
Base-Backbone interact. energy: -3.408
local terms energy: -90.011266
where:
bonds (distance) C4'-P energy: -20.023
bonds (distance) P-C4' energy: -22.116
flat angles C4'-P-C4' energy: -22.738
flat angles P-C4'-P energy: -8.247
tors. eta vs tors. theta energy: -16.887
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 96
Temperature: 1.150000
Total energy: -248.100393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.100393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.100393 (E_RNA)
where:
Base-Base interactions energy: -163.318
where: short stacking energy: -72.241
Base-Backbone interact. energy: -0.332
local terms energy: -84.449588
where:
bonds (distance) C4'-P energy: -19.157
bonds (distance) P-C4' energy: -18.566
flat angles C4'-P-C4' energy: -21.644
flat angles P-C4'-P energy: -8.627
tors. eta vs tors. theta energy: -16.456
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 96
Temperature: 1.200000
Total energy: -234.347753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.347753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.347753 (E_RNA)
where:
Base-Base interactions energy: -148.518
where: short stacking energy: -66.839
Base-Backbone interact. energy: -0.132
local terms energy: -85.698075
where:
bonds (distance) C4'-P energy: -21.889
bonds (distance) P-C4' energy: -15.822
flat angles C4'-P-C4' energy: -16.867
flat angles P-C4'-P energy: -13.259
tors. eta vs tors. theta energy: -17.861
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 96
Temperature: 1.250000
Total energy: -118.355497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.355497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.355497 (E_RNA)
where:
Base-Base interactions energy: -44.685
where: short stacking energy: -44.622
Base-Backbone interact. energy: -0.238
local terms energy: -73.432261
where:
bonds (distance) C4'-P energy: -14.922
bonds (distance) P-C4' energy: -16.723
flat angles C4'-P-C4' energy: -20.421
flat angles P-C4'-P energy: -14.503
tors. eta vs tors. theta energy: -6.864
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 96
Temperature: 1.300000
Total energy: -160.553714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.553714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.553714 (E_RNA)
where:
Base-Base interactions energy: -95.447
where: short stacking energy: -45.279
Base-Backbone interact. energy: -0.414
local terms energy: -64.693079
where:
bonds (distance) C4'-P energy: -18.349
bonds (distance) P-C4' energy: -18.230
flat angles C4'-P-C4' energy: -10.408
flat angles P-C4'-P energy: -11.511
tors. eta vs tors. theta energy: -6.195
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 96
Temperature: 1.350000
Total energy: -103.378122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.378122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.378122 (E_RNA)
where:
Base-Base interactions energy: -37.601
where: short stacking energy: -35.829
Base-Backbone interact. energy: 0.475
local terms energy: -66.252548
where:
bonds (distance) C4'-P energy: -17.998
bonds (distance) P-C4' energy: -17.173
flat angles C4'-P-C4' energy: -14.888
flat angles P-C4'-P energy: -9.197
tors. eta vs tors. theta energy: -6.997
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 97
Temperature: 0.900000
Total energy: -335.803927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.803927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.803927 (E_RNA)
where:
Base-Base interactions energy: -241.651
where: short stacking energy: -93.854
Base-Backbone interact. energy: -0.047
local terms energy: -94.106453
where:
bonds (distance) C4'-P energy: -16.561
bonds (distance) P-C4' energy: -22.885
flat angles C4'-P-C4' energy: -17.172
flat angles P-C4'-P energy: -15.485
tors. eta vs tors. theta energy: -22.003
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 97
Temperature: 0.950000
Total energy: -293.201184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.201184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.201184 (E_RNA)
where:
Base-Base interactions energy: -193.497
where: short stacking energy: -87.429
Base-Backbone interact. energy: -3.342
local terms energy: -96.362111
where:
bonds (distance) C4'-P energy: -21.965
bonds (distance) P-C4' energy: -18.379
flat angles C4'-P-C4' energy: -18.838
flat angles P-C4'-P energy: -15.166
tors. eta vs tors. theta energy: -22.015
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 97
Temperature: 1.000000
Total energy: -295.583161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.583161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.583161 (E_RNA)
where:
Base-Base interactions energy: -209.441
where: short stacking energy: -85.106
Base-Backbone interact. energy: -0.099
local terms energy: -86.042397
where:
bonds (distance) C4'-P energy: -16.515
bonds (distance) P-C4' energy: -18.812
flat angles C4'-P-C4' energy: -16.866
flat angles P-C4'-P energy: -12.346
tors. eta vs tors. theta energy: -21.502
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 97
Temperature: 1.050000
Total energy: -272.102965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.102965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.102965 (E_RNA)
where:
Base-Base interactions energy: -179.723
where: short stacking energy: -89.266
Base-Backbone interact. energy: 0.526
local terms energy: -92.905675
where:
bonds (distance) C4'-P energy: -18.097
bonds (distance) P-C4' energy: -19.777
flat angles C4'-P-C4' energy: -19.667
flat angles P-C4'-P energy: -11.538
tors. eta vs tors. theta energy: -23.826
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 97
Temperature: 1.100000
Total energy: -252.775588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.775588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.775588 (E_RNA)
where:
Base-Base interactions energy: -163.542
where: short stacking energy: -72.197
Base-Backbone interact. energy: -0.192
local terms energy: -89.040956
where:
bonds (distance) C4'-P energy: -20.585
bonds (distance) P-C4' energy: -21.979
flat angles C4'-P-C4' energy: -20.216
flat angles P-C4'-P energy: -10.989
tors. eta vs tors. theta energy: -15.271
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 97
Temperature: 1.150000
Total energy: -230.366601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.366601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.366601 (E_RNA)
where:
Base-Base interactions energy: -146.913
where: short stacking energy: -77.743
Base-Backbone interact. energy: 0.308
local terms energy: -83.761635
where:
bonds (distance) C4'-P energy: -19.145
bonds (distance) P-C4' energy: -20.330
flat angles C4'-P-C4' energy: -16.599
flat angles P-C4'-P energy: -15.899
tors. eta vs tors. theta energy: -11.788
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 97
Temperature: 1.200000
Total energy: -250.568050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.568050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.568050 (E_RNA)
where:
Base-Base interactions energy: -165.702
where: short stacking energy: -67.942
Base-Backbone interact. energy: 1.161
local terms energy: -86.026753
where:
bonds (distance) C4'-P energy: -16.362
bonds (distance) P-C4' energy: -20.630
flat angles C4'-P-C4' energy: -16.894
flat angles P-C4'-P energy: -13.323
tors. eta vs tors. theta energy: -18.817
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 97
Temperature: 1.250000
Total energy: -230.282281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.282281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.282281 (E_RNA)
where:
Base-Base interactions energy: -154.458
where: short stacking energy: -70.425
Base-Backbone interact. energy: 0.799
local terms energy: -76.622588
where:
bonds (distance) C4'-P energy: -13.444
bonds (distance) P-C4' energy: -12.317
flat angles C4'-P-C4' energy: -19.919
flat angles P-C4'-P energy: -10.821
tors. eta vs tors. theta energy: -20.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 97
Temperature: 1.300000
Total energy: -113.823923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.823923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.823923 (E_RNA)
where:
Base-Base interactions energy: -46.371
where: short stacking energy: -44.420
Base-Backbone interact. energy: -0.184
local terms energy: -67.269020
where:
bonds (distance) C4'-P energy: -18.668
bonds (distance) P-C4' energy: -18.303
flat angles C4'-P-C4' energy: -11.661
flat angles P-C4'-P energy: -16.463
tors. eta vs tors. theta energy: -2.173
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 97
Temperature: 1.350000
Total energy: -114.562028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.562028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.562028 (E_RNA)
where:
Base-Base interactions energy: -54.829
where: short stacking energy: -37.624
Base-Backbone interact. energy: -1.165
local terms energy: -58.568737
where:
bonds (distance) C4'-P energy: -17.545
bonds (distance) P-C4' energy: -12.135
flat angles C4'-P-C4' energy: -14.365
flat angles P-C4'-P energy: -10.907
tors. eta vs tors. theta energy: -3.617
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 98
Temperature: 0.900000
Total energy: -328.888807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.888807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.888807 (E_RNA)
where:
Base-Base interactions energy: -225.730
where: short stacking energy: -86.768
Base-Backbone interact. energy: -0.961
local terms energy: -102.197763
where:
bonds (distance) C4'-P energy: -21.493
bonds (distance) P-C4' energy: -17.757
flat angles C4'-P-C4' energy: -20.454
flat angles P-C4'-P energy: -17.755
tors. eta vs tors. theta energy: -24.739
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 98
Temperature: 0.950000
Total energy: -279.316275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.316275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.316275 (E_RNA)
where:
Base-Base interactions energy: -192.456
where: short stacking energy: -83.917
Base-Backbone interact. energy: -1.660
local terms energy: -85.200225
where:
bonds (distance) C4'-P energy: -17.476
bonds (distance) P-C4' energy: -16.059
flat angles C4'-P-C4' energy: -21.471
flat angles P-C4'-P energy: -11.952
tors. eta vs tors. theta energy: -18.242
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 98
Temperature: 1.000000
Total energy: -295.537635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.537635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.537635 (E_RNA)
where:
Base-Base interactions energy: -205.022
where: short stacking energy: -84.723
Base-Backbone interact. energy: -0.276
local terms energy: -90.239866
where:
bonds (distance) C4'-P energy: -17.249
bonds (distance) P-C4' energy: -16.248
flat angles C4'-P-C4' energy: -22.030
flat angles P-C4'-P energy: -13.133
tors. eta vs tors. theta energy: -21.580
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 98
Temperature: 1.050000
Total energy: -264.287249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.287249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.287249 (E_RNA)
where:
Base-Base interactions energy: -174.926
where: short stacking energy: -72.039
Base-Backbone interact. energy: -0.144
local terms energy: -89.217434
where:
bonds (distance) C4'-P energy: -17.690
bonds (distance) P-C4' energy: -16.055
flat angles C4'-P-C4' energy: -20.013
flat angles P-C4'-P energy: -16.318
tors. eta vs tors. theta energy: -19.141
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 98
Temperature: 1.100000
Total energy: -236.566581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.566581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.566581 (E_RNA)
where:
Base-Base interactions energy: -159.724
where: short stacking energy: -85.926
Base-Backbone interact. energy: -0.115
local terms energy: -76.727181
where:
bonds (distance) C4'-P energy: -13.716
bonds (distance) P-C4' energy: -17.921
flat angles C4'-P-C4' energy: -15.932
flat angles P-C4'-P energy: -12.029
tors. eta vs tors. theta energy: -17.130
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 98
Temperature: 1.150000
Total energy: -260.140640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.140640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.140640 (E_RNA)
where:
Base-Base interactions energy: -172.846
where: short stacking energy: -81.046
Base-Backbone interact. energy: 1.894
local terms energy: -89.188199
where:
bonds (distance) C4'-P energy: -16.209
bonds (distance) P-C4' energy: -21.806
flat angles C4'-P-C4' energy: -21.222
flat angles P-C4'-P energy: -8.469
tors. eta vs tors. theta energy: -21.482
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 98
Temperature: 1.200000
Total energy: -240.689265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.689265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.689265 (E_RNA)
where:
Base-Base interactions energy: -157.752
where: short stacking energy: -75.259
Base-Backbone interact. energy: -0.582
local terms energy: -82.355330
where:
bonds (distance) C4'-P energy: -16.664
bonds (distance) P-C4' energy: -14.819
flat angles C4'-P-C4' energy: -20.987
flat angles P-C4'-P energy: -14.377
tors. eta vs tors. theta energy: -15.509
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 98
Temperature: 1.250000
Total energy: -227.478083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.478083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.478083 (E_RNA)
where:
Base-Base interactions energy: -155.229
where: short stacking energy: -73.935
Base-Backbone interact. energy: -0.262
local terms energy: -71.986647
where:
bonds (distance) C4'-P energy: -16.011
bonds (distance) P-C4' energy: -12.025
flat angles C4'-P-C4' energy: -20.184
flat angles P-C4'-P energy: -11.595
tors. eta vs tors. theta energy: -12.172
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 98
Temperature: 1.300000
Total energy: -115.498824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.498824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.498824 (E_RNA)
where:
Base-Base interactions energy: -44.874
where: short stacking energy: -44.874
Base-Backbone interact. energy: -0.274
local terms energy: -70.351048
where:
bonds (distance) C4'-P energy: -16.374
bonds (distance) P-C4' energy: -18.634
flat angles C4'-P-C4' energy: -17.742
flat angles P-C4'-P energy: -13.614
tors. eta vs tors. theta energy: -3.987
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 98
Temperature: 1.350000
Total energy: -98.282463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.282463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.282463 (E_RNA)
where:
Base-Base interactions energy: -35.437
where: short stacking energy: -32.173
Base-Backbone interact. energy: -0.212
local terms energy: -62.633567
where:
bonds (distance) C4'-P energy: -18.715
bonds (distance) P-C4' energy: -15.141
flat angles C4'-P-C4' energy: -11.566
flat angles P-C4'-P energy: -13.330
tors. eta vs tors. theta energy: -3.882
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 99
Temperature: 0.900000
Total energy: -328.549386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.549386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.549386 (E_RNA)
where:
Base-Base interactions energy: -230.226
where: short stacking energy: -90.529
Base-Backbone interact. energy: -0.527
local terms energy: -97.796877
where:
bonds (distance) C4'-P energy: -20.276
bonds (distance) P-C4' energy: -17.088
flat angles C4'-P-C4' energy: -19.744
flat angles P-C4'-P energy: -16.898
tors. eta vs tors. theta energy: -23.791
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 99
Temperature: 0.950000
Total energy: -298.752879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.752879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.752879 (E_RNA)
where:
Base-Base interactions energy: -207.866
where: short stacking energy: -83.979
Base-Backbone interact. energy: -0.456
local terms energy: -90.431266
where:
bonds (distance) C4'-P energy: -19.393
bonds (distance) P-C4' energy: -17.496
flat angles C4'-P-C4' energy: -14.049
flat angles P-C4'-P energy: -17.830
tors. eta vs tors. theta energy: -21.662
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 99
Temperature: 1.000000
Total energy: -281.445466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.445466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.445466 (E_RNA)
where:
Base-Base interactions energy: -184.850
where: short stacking energy: -78.054
Base-Backbone interact. energy: -2.757
local terms energy: -93.838530
where:
bonds (distance) C4'-P energy: -18.735
bonds (distance) P-C4' energy: -18.889
flat angles C4'-P-C4' energy: -20.229
flat angles P-C4'-P energy: -16.663
tors. eta vs tors. theta energy: -19.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 99
Temperature: 1.050000
Total energy: -261.546639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.546639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.546639 (E_RNA)
where:
Base-Base interactions energy: -161.850
where: short stacking energy: -83.891
Base-Backbone interact. energy: -1.143
local terms energy: -98.554158
where:
bonds (distance) C4'-P energy: -22.212
bonds (distance) P-C4' energy: -20.860
flat angles C4'-P-C4' energy: -16.573
flat angles P-C4'-P energy: -13.622
tors. eta vs tors. theta energy: -25.288
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 99
Temperature: 1.100000
Total energy: -261.749151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.749151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.749151 (E_RNA)
where:
Base-Base interactions energy: -182.332
where: short stacking energy: -85.960
Base-Backbone interact. energy: -0.239
local terms energy: -79.177720
where:
bonds (distance) C4'-P energy: -14.722
bonds (distance) P-C4' energy: -18.891
flat angles C4'-P-C4' energy: -15.571
flat angles P-C4'-P energy: -10.490
tors. eta vs tors. theta energy: -19.504
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 99
Temperature: 1.150000
Total energy: -246.443268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.443268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.443268 (E_RNA)
where:
Base-Base interactions energy: -169.168
where: short stacking energy: -71.000
Base-Backbone interact. energy: -0.648
local terms energy: -76.626570
where:
bonds (distance) C4'-P energy: -15.332
bonds (distance) P-C4' energy: -22.588
flat angles C4'-P-C4' energy: -19.632
flat angles P-C4'-P energy: -5.349
tors. eta vs tors. theta energy: -13.726
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 99
Temperature: 1.200000
Total energy: -235.579330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.579330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.579330 (E_RNA)
where:
Base-Base interactions energy: -151.853
where: short stacking energy: -70.044
Base-Backbone interact. energy: -0.533
local terms energy: -83.194014
where:
bonds (distance) C4'-P energy: -16.498
bonds (distance) P-C4' energy: -18.501
flat angles C4'-P-C4' energy: -20.603
flat angles P-C4'-P energy: -13.723
tors. eta vs tors. theta energy: -13.868
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 99
Temperature: 1.250000
Total energy: -230.525882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.525882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.525882 (E_RNA)
where:
Base-Base interactions energy: -148.248
where: short stacking energy: -71.677
Base-Backbone interact. energy: -1.231
local terms energy: -81.047053
where:
bonds (distance) C4'-P energy: -16.400
bonds (distance) P-C4' energy: -17.254
flat angles C4'-P-C4' energy: -18.145
flat angles P-C4'-P energy: -10.183
tors. eta vs tors. theta energy: -19.066
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 99
Temperature: 1.300000
Total energy: -109.508569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.508569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.508569 (E_RNA)
where:
Base-Base interactions energy: -44.867
where: short stacking energy: -40.686
Base-Backbone interact. energy: -0.373
local terms energy: -64.269073
where:
bonds (distance) C4'-P energy: -19.402
bonds (distance) P-C4' energy: -18.000
flat angles C4'-P-C4' energy: -13.436
flat angles P-C4'-P energy: -11.893
tors. eta vs tors. theta energy: -1.538
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 99
Temperature: 1.350000
Total energy: -94.875269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.875269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.875269 (E_RNA)
where:
Base-Base interactions energy: -39.120
where: short stacking energy: -33.569
Base-Backbone interact. energy: -0.206
local terms energy: -55.548722
where:
bonds (distance) C4'-P energy: -19.360
bonds (distance) P-C4' energy: -14.379
flat angles C4'-P-C4' energy: -15.058
flat angles P-C4'-P energy: -5.743
tors. eta vs tors. theta energy: -1.009
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 100
Temperature: 0.900000
Total energy: -333.449344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.449344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.449344 (E_RNA)
where:
Base-Base interactions energy: -235.837
where: short stacking energy: -94.419
Base-Backbone interact. energy: -1.162
local terms energy: -96.450138
where:
bonds (distance) C4'-P energy: -21.100
bonds (distance) P-C4' energy: -17.820
flat angles C4'-P-C4' energy: -16.844
flat angles P-C4'-P energy: -14.827
tors. eta vs tors. theta energy: -25.859
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 100
Temperature: 0.950000
Total energy: -301.456082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.456082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.456082 (E_RNA)
where:
Base-Base interactions energy: -207.243
where: short stacking energy: -86.890
Base-Backbone interact. energy: -0.932
local terms energy: -93.280318
where:
bonds (distance) C4'-P energy: -17.782
bonds (distance) P-C4' energy: -18.315
flat angles C4'-P-C4' energy: -21.213
flat angles P-C4'-P energy: -17.849
tors. eta vs tors. theta energy: -18.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 100
Temperature: 1.000000
Total energy: -254.971587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.971587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.971587 (E_RNA)
where:
Base-Base interactions energy: -171.028
where: short stacking energy: -77.023
Base-Backbone interact. energy: -1.101
local terms energy: -82.841884
where:
bonds (distance) C4'-P energy: -13.981
bonds (distance) P-C4' energy: -18.713
flat angles C4'-P-C4' energy: -17.603
flat angles P-C4'-P energy: -9.684
tors. eta vs tors. theta energy: -22.862
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 100
Temperature: 1.050000
Total energy: -284.837281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.837281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.837281 (E_RNA)
where:
Base-Base interactions energy: -184.115
where: short stacking energy: -87.892
Base-Backbone interact. energy: -0.776
local terms energy: -99.946058
where:
bonds (distance) C4'-P energy: -20.333
bonds (distance) P-C4' energy: -21.701
flat angles C4'-P-C4' energy: -18.762
flat angles P-C4'-P energy: -12.218
tors. eta vs tors. theta energy: -26.933
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 100
Temperature: 1.100000
Total energy: -264.809151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.809151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.809151 (E_RNA)
where:
Base-Base interactions energy: -180.424
where: short stacking energy: -82.140
Base-Backbone interact. energy: -0.252
local terms energy: -84.133340
where:
bonds (distance) C4'-P energy: -18.097
bonds (distance) P-C4' energy: -17.713
flat angles C4'-P-C4' energy: -17.943
flat angles P-C4'-P energy: -9.402
tors. eta vs tors. theta energy: -20.979
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 100
Temperature: 1.150000
Total energy: -246.724336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.724336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.724336 (E_RNA)
where:
Base-Base interactions energy: -165.457
where: short stacking energy: -77.725
Base-Backbone interact. energy: -0.165
local terms energy: -81.102414
where:
bonds (distance) C4'-P energy: -19.654
bonds (distance) P-C4' energy: -17.454
flat angles C4'-P-C4' energy: -20.343
flat angles P-C4'-P energy: -9.687
tors. eta vs tors. theta energy: -13.964
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 100
Temperature: 1.200000
Total energy: -249.958667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.958667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.958667 (E_RNA)
where:
Base-Base interactions energy: -179.580
where: short stacking energy: -81.128
Base-Backbone interact. energy: 0.112
local terms energy: -70.490379
where:
bonds (distance) C4'-P energy: -15.175
bonds (distance) P-C4' energy: -11.857
flat angles C4'-P-C4' energy: -12.341
flat angles P-C4'-P energy: -9.856
tors. eta vs tors. theta energy: -21.262
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 100
Temperature: 1.250000
Total energy: -220.075699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.075699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.075699 (E_RNA)
where:
Base-Base interactions energy: -147.385
where: short stacking energy: -74.707
Base-Backbone interact. energy: -0.147
local terms energy: -72.543875
where:
bonds (distance) C4'-P energy: -10.420
bonds (distance) P-C4' energy: -17.544
flat angles C4'-P-C4' energy: -17.426
flat angles P-C4'-P energy: -9.164
tors. eta vs tors. theta energy: -17.990
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 100
Temperature: 1.300000
Total energy: -122.483350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.483350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.483350 (E_RNA)
where:
Base-Base interactions energy: -60.071
where: short stacking energy: -42.649
Base-Backbone interact. energy: -0.265
local terms energy: -62.147109
where:
bonds (distance) C4'-P energy: -17.528
bonds (distance) P-C4' energy: -10.806
flat angles C4'-P-C4' energy: -16.553
flat angles P-C4'-P energy: -10.706
tors. eta vs tors. theta energy: -6.553
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 100
Temperature: 1.350000
Total energy: -102.484682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.484682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.484682 (E_RNA)
where:
Base-Base interactions energy: -39.780
where: short stacking energy: -18.247
Base-Backbone interact. energy: -0.517
local terms energy: -62.188388
where:
bonds (distance) C4'-P energy: -18.055
bonds (distance) P-C4' energy: -21.582
flat angles C4'-P-C4' energy: -13.326
flat angles P-C4'-P energy: -13.199
tors. eta vs tors. theta energy: 3.972
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 101
Temperature: 0.900000
Total energy: -338.462426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.462426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.462426 (E_RNA)
where:
Base-Base interactions energy: -244.872
where: short stacking energy: -105.704
Base-Backbone interact. energy: -0.381
local terms energy: -93.209197
where:
bonds (distance) C4'-P energy: -15.430
bonds (distance) P-C4' energy: -19.864
flat angles C4'-P-C4' energy: -20.472
flat angles P-C4'-P energy: -13.431
tors. eta vs tors. theta energy: -24.012
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 101
Temperature: 0.950000
Total energy: -299.393911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.393911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.393911 (E_RNA)
where:
Base-Base interactions energy: -201.386
where: short stacking energy: -92.454
Base-Backbone interact. energy: -0.156
local terms energy: -97.852437
where:
bonds (distance) C4'-P energy: -18.842
bonds (distance) P-C4' energy: -24.943
flat angles C4'-P-C4' energy: -16.666
flat angles P-C4'-P energy: -15.706
tors. eta vs tors. theta energy: -21.697
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 101
Temperature: 1.000000
Total energy: -222.136413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.136413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.136413 (E_RNA)
where:
Base-Base interactions energy: -149.696
where: short stacking energy: -62.842
Base-Backbone interact. energy: -0.783
local terms energy: -71.658396
where:
bonds (distance) C4'-P energy: -20.987
bonds (distance) P-C4' energy: -21.380
flat angles C4'-P-C4' energy: -13.356
flat angles P-C4'-P energy: -3.801
tors. eta vs tors. theta energy: -12.135
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 101
Temperature: 1.050000
Total energy: -280.590457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.590457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.590457 (E_RNA)
where:
Base-Base interactions energy: -193.532
where: short stacking energy: -82.432
Base-Backbone interact. energy: -1.379
local terms energy: -85.678933
where:
bonds (distance) C4'-P energy: -19.832
bonds (distance) P-C4' energy: -19.837
flat angles C4'-P-C4' energy: -19.275
flat angles P-C4'-P energy: -7.105
tors. eta vs tors. theta energy: -19.629
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 101
Temperature: 1.100000
Total energy: -272.197784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.197784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.197784 (E_RNA)
where:
Base-Base interactions energy: -177.359
where: short stacking energy: -88.843
Base-Backbone interact. energy: -0.501
local terms energy: -94.337288
where:
bonds (distance) C4'-P energy: -18.690
bonds (distance) P-C4' energy: -18.163
flat angles C4'-P-C4' energy: -21.625
flat angles P-C4'-P energy: -14.180
tors. eta vs tors. theta energy: -21.679
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 101
Temperature: 1.150000
Total energy: -251.770825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.770825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.770825 (E_RNA)
where:
Base-Base interactions energy: -167.452
where: short stacking energy: -76.506
Base-Backbone interact. energy: -1.389
local terms energy: -82.930208
where:
bonds (distance) C4'-P energy: -15.240
bonds (distance) P-C4' energy: -20.467
flat angles C4'-P-C4' energy: -19.498
flat angles P-C4'-P energy: -12.172
tors. eta vs tors. theta energy: -15.553
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 101
Temperature: 1.200000
Total energy: -226.435511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.435511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.435511 (E_RNA)
where:
Base-Base interactions energy: -145.015
where: short stacking energy: -71.586
Base-Backbone interact. energy: -0.068
local terms energy: -81.352746
where:
bonds (distance) C4'-P energy: -18.495
bonds (distance) P-C4' energy: -18.679
flat angles C4'-P-C4' energy: -20.577
flat angles P-C4'-P energy: -9.547
tors. eta vs tors. theta energy: -14.055
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 101
Temperature: 1.250000
Total energy: -209.029849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.029849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.029849 (E_RNA)
where:
Base-Base interactions energy: -125.103
where: short stacking energy: -56.504
Base-Backbone interact. energy: -0.134
local terms energy: -83.792824
where:
bonds (distance) C4'-P energy: -17.513
bonds (distance) P-C4' energy: -22.793
flat angles C4'-P-C4' energy: -20.480
flat angles P-C4'-P energy: -7.376
tors. eta vs tors. theta energy: -15.630
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 101
Temperature: 1.300000
Total energy: -102.243895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.243895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.243895 (E_RNA)
where:
Base-Base interactions energy: -32.292
where: short stacking energy: -30.537
Base-Backbone interact. energy: -0.156
local terms energy: -69.795961
where:
bonds (distance) C4'-P energy: -19.924
bonds (distance) P-C4' energy: -17.950
flat angles C4'-P-C4' energy: -15.927
flat angles P-C4'-P energy: -11.468
tors. eta vs tors. theta energy: -4.526
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 101
Temperature: 1.350000
Total energy: -112.800532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.800532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.800532 (E_RNA)
where:
Base-Base interactions energy: -48.725
where: short stacking energy: -48.725
Base-Backbone interact. energy: -0.042
local terms energy: -64.032851
where:
bonds (distance) C4'-P energy: -18.702
bonds (distance) P-C4' energy: -18.492
flat angles C4'-P-C4' energy: -17.737
flat angles P-C4'-P energy: -3.330
tors. eta vs tors. theta energy: -5.771
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 102
Temperature: 0.900000
Total energy: -311.036420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.036420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.036420 (E_RNA)
where:
Base-Base interactions energy: -210.190
where: short stacking energy: -96.867
Base-Backbone interact. energy: -0.036
local terms energy: -100.810233
where:
bonds (distance) C4'-P energy: -20.498
bonds (distance) P-C4' energy: -19.847
flat angles C4'-P-C4' energy: -20.687
flat angles P-C4'-P energy: -15.090
tors. eta vs tors. theta energy: -24.689
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 102
Temperature: 0.950000
Total energy: -331.477472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.477472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.477472 (E_RNA)
where:
Base-Base interactions energy: -234.255
where: short stacking energy: -91.160
Base-Backbone interact. energy: -0.188
local terms energy: -97.034115
where:
bonds (distance) C4'-P energy: -22.188
bonds (distance) P-C4' energy: -17.617
flat angles C4'-P-C4' energy: -17.141
flat angles P-C4'-P energy: -16.589
tors. eta vs tors. theta energy: -23.499
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 102
Temperature: 1.000000
Total energy: -288.804765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.804765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.804765 (E_RNA)
where:
Base-Base interactions energy: -193.119
where: short stacking energy: -85.272
Base-Backbone interact. energy: -0.154
local terms energy: -95.531693
where:
bonds (distance) C4'-P energy: -20.626
bonds (distance) P-C4' energy: -22.483
flat angles C4'-P-C4' energy: -22.183
flat angles P-C4'-P energy: -11.875
tors. eta vs tors. theta energy: -18.364
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 102
Temperature: 1.050000
Total energy: -242.274967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.274967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.274967 (E_RNA)
where:
Base-Base interactions energy: -148.680
where: short stacking energy: -73.098
Base-Backbone interact. energy: -0.894
local terms energy: -92.701373
where:
bonds (distance) C4'-P energy: -21.249
bonds (distance) P-C4' energy: -21.091
flat angles C4'-P-C4' energy: -17.210
flat angles P-C4'-P energy: -14.453
tors. eta vs tors. theta energy: -18.698
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 102
Temperature: 1.100000
Total energy: -256.427264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.427264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.427264 (E_RNA)
where:
Base-Base interactions energy: -169.511
where: short stacking energy: -79.794
Base-Backbone interact. energy: -0.106
local terms energy: -86.810067
where:
bonds (distance) C4'-P energy: -16.937
bonds (distance) P-C4' energy: -17.802
flat angles C4'-P-C4' energy: -20.919
flat angles P-C4'-P energy: -10.416
tors. eta vs tors. theta energy: -20.736
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 102
Temperature: 1.150000
Total energy: -236.507960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.507960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.507960 (E_RNA)
where:
Base-Base interactions energy: -149.733
where: short stacking energy: -64.477
Base-Backbone interact. energy: 1.608
local terms energy: -88.382629
where:
bonds (distance) C4'-P energy: -20.607
bonds (distance) P-C4' energy: -21.117
flat angles C4'-P-C4' energy: -18.914
flat angles P-C4'-P energy: -15.593
tors. eta vs tors. theta energy: -12.152
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 102
Temperature: 1.200000
Total energy: -242.668070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.668070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.668070 (E_RNA)
where:
Base-Base interactions energy: -152.805
where: short stacking energy: -61.326
Base-Backbone interact. energy: -0.520
local terms energy: -89.343431
where:
bonds (distance) C4'-P energy: -19.655
bonds (distance) P-C4' energy: -19.330
flat angles C4'-P-C4' energy: -20.243
flat angles P-C4'-P energy: -15.456
tors. eta vs tors. theta energy: -14.660
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 102
Temperature: 1.250000
Total energy: -214.336233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.336233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.336233 (E_RNA)
where:
Base-Base interactions energy: -131.312
where: short stacking energy: -64.646
Base-Backbone interact. energy: 2.606
local terms energy: -85.630142
where:
bonds (distance) C4'-P energy: -20.995
bonds (distance) P-C4' energy: -16.376
flat angles C4'-P-C4' energy: -19.854
flat angles P-C4'-P energy: -13.321
tors. eta vs tors. theta energy: -15.083
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 102
Temperature: 1.300000
Total energy: -117.286879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.286879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.286879 (E_RNA)
where:
Base-Base interactions energy: -51.039
where: short stacking energy: -35.964
Base-Backbone interact. energy: -1.689
local terms energy: -64.558112
where:
bonds (distance) C4'-P energy: -20.249
bonds (distance) P-C4' energy: -15.041
flat angles C4'-P-C4' energy: -14.559
flat angles P-C4'-P energy: -11.913
tors. eta vs tors. theta energy: -2.797
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 102
Temperature: 1.350000
Total energy: -112.064618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.064618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.064618 (E_RNA)
where:
Base-Base interactions energy: -47.193
where: short stacking energy: -40.504
Base-Backbone interact. energy: -0.416
local terms energy: -64.456018
where:
bonds (distance) C4'-P energy: -19.609
bonds (distance) P-C4' energy: -18.900
flat angles C4'-P-C4' energy: -13.633
flat angles P-C4'-P energy: -7.127
tors. eta vs tors. theta energy: -5.187
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 103
Temperature: 0.900000
Total energy: -312.203749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.203749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.203749 (E_RNA)
where:
Base-Base interactions energy: -214.511
where: short stacking energy: -97.677
Base-Backbone interact. energy: -0.437
local terms energy: -97.256405
where:
bonds (distance) C4'-P energy: -14.853
bonds (distance) P-C4' energy: -20.617
flat angles C4'-P-C4' energy: -17.926
flat angles P-C4'-P energy: -16.047
tors. eta vs tors. theta energy: -27.814
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 103
Temperature: 0.950000
Total energy: -331.439312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.439312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.439312 (E_RNA)
where:
Base-Base interactions energy: -229.945
where: short stacking energy: -93.394
Base-Backbone interact. energy: -0.361
local terms energy: -101.133451
where:
bonds (distance) C4'-P energy: -19.574
bonds (distance) P-C4' energy: -21.813
flat angles C4'-P-C4' energy: -19.772
flat angles P-C4'-P energy: -13.127
tors. eta vs tors. theta energy: -26.848
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 103
Temperature: 1.000000
Total energy: -276.478284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.478284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.478284 (E_RNA)
where:
Base-Base interactions energy: -187.557
where: short stacking energy: -76.425
Base-Backbone interact. energy: -0.493
local terms energy: -88.428451
where:
bonds (distance) C4'-P energy: -20.432
bonds (distance) P-C4' energy: -20.468
flat angles C4'-P-C4' energy: -20.302
flat angles P-C4'-P energy: -10.364
tors. eta vs tors. theta energy: -16.863
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 103
Temperature: 1.050000
Total energy: -250.791673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.791673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.791673 (E_RNA)
where:
Base-Base interactions energy: -165.843
where: short stacking energy: -74.992
Base-Backbone interact. energy: -0.677
local terms energy: -84.271604
where:
bonds (distance) C4'-P energy: -17.021
bonds (distance) P-C4' energy: -15.155
flat angles C4'-P-C4' energy: -20.583
flat angles P-C4'-P energy: -13.091
tors. eta vs tors. theta energy: -18.422
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 103
Temperature: 1.100000
Total energy: -225.590797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.590797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.590797 (E_RNA)
where:
Base-Base interactions energy: -144.661
where: short stacking energy: -79.816
Base-Backbone interact. energy: -0.571
local terms energy: -80.358973
where:
bonds (distance) C4'-P energy: -17.058
bonds (distance) P-C4' energy: -14.755
flat angles C4'-P-C4' energy: -17.245
flat angles P-C4'-P energy: -12.890
tors. eta vs tors. theta energy: -18.412
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 103
Temperature: 1.150000
Total energy: -234.379886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.379886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.379886 (E_RNA)
where:
Base-Base interactions energy: -155.340
where: short stacking energy: -75.786
Base-Backbone interact. energy: -0.078
local terms energy: -78.961826
where:
bonds (distance) C4'-P energy: -16.703
bonds (distance) P-C4' energy: -15.938
flat angles C4'-P-C4' energy: -21.173
flat angles P-C4'-P energy: -8.266
tors. eta vs tors. theta energy: -16.881
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 103
Temperature: 1.200000
Total energy: -232.612052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.612052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.612052 (E_RNA)
where:
Base-Base interactions energy: -156.566
where: short stacking energy: -75.455
Base-Backbone interact. energy: 0.102
local terms energy: -76.147639
where:
bonds (distance) C4'-P energy: -17.133
bonds (distance) P-C4' energy: -13.762
flat angles C4'-P-C4' energy: -19.305
flat angles P-C4'-P energy: -11.007
tors. eta vs tors. theta energy: -14.941
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 103
Temperature: 1.250000
Total energy: -122.610528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.610528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.610528 (E_RNA)
where:
Base-Base interactions energy: -53.472
where: short stacking energy: -42.345
Base-Backbone interact. energy: -0.279
local terms energy: -68.859324
where:
bonds (distance) C4'-P energy: -15.762
bonds (distance) P-C4' energy: -21.510
flat angles C4'-P-C4' energy: -19.740
flat angles P-C4'-P energy: -9.741
tors. eta vs tors. theta energy: -2.106
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 103
Temperature: 1.300000
Total energy: -212.170084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.170084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.170084 (E_RNA)
where:
Base-Base interactions energy: -132.580
where: short stacking energy: -62.340
Base-Backbone interact. energy: 0.584
local terms energy: -80.174328
where:
bonds (distance) C4'-P energy: -18.713
bonds (distance) P-C4' energy: -23.057
flat angles C4'-P-C4' energy: -17.833
flat angles P-C4'-P energy: -9.221
tors. eta vs tors. theta energy: -11.350
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 103
Temperature: 1.350000
Total energy: -99.644920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.644920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.644920 (E_RNA)
where:
Base-Base interactions energy: -40.220
where: short stacking energy: -38.582
Base-Backbone interact. energy: -0.580
local terms energy: -58.845727
where:
bonds (distance) C4'-P energy: -14.012
bonds (distance) P-C4' energy: -18.337
flat angles C4'-P-C4' energy: -12.763
flat angles P-C4'-P energy: -8.783
tors. eta vs tors. theta energy: -4.951
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 104
Temperature: 0.900000
Total energy: -335.116157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.116157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.116157 (E_RNA)
where:
Base-Base interactions energy: -236.497
where: short stacking energy: -94.421
Base-Backbone interact. energy: -0.215
local terms energy: -98.404523
where:
bonds (distance) C4'-P energy: -19.944
bonds (distance) P-C4' energy: -21.293
flat angles C4'-P-C4' energy: -20.142
flat angles P-C4'-P energy: -13.417
tors. eta vs tors. theta energy: -23.609
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 104
Temperature: 0.950000
Total energy: -300.687035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.687035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.687035 (E_RNA)
where:
Base-Base interactions energy: -199.725
where: short stacking energy: -89.934
Base-Backbone interact. energy: -0.143
local terms energy: -100.819332
where:
bonds (distance) C4'-P energy: -20.316
bonds (distance) P-C4' energy: -21.130
flat angles C4'-P-C4' energy: -21.813
flat angles P-C4'-P energy: -16.767
tors. eta vs tors. theta energy: -20.793
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 104
Temperature: 1.000000
Total energy: -287.336742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.336742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.336742 (E_RNA)
where:
Base-Base interactions energy: -194.053
where: short stacking energy: -81.629
Base-Backbone interact. energy: -0.244
local terms energy: -93.039658
where:
bonds (distance) C4'-P energy: -15.332
bonds (distance) P-C4' energy: -21.275
flat angles C4'-P-C4' energy: -22.401
flat angles P-C4'-P energy: -11.732
tors. eta vs tors. theta energy: -22.299
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 104
Temperature: 1.050000
Total energy: -271.966398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.966398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.966398 (E_RNA)
where:
Base-Base interactions energy: -178.255
where: short stacking energy: -91.072
Base-Backbone interact. energy: -0.979
local terms energy: -92.732428
where:
bonds (distance) C4'-P energy: -20.200
bonds (distance) P-C4' energy: -20.525
flat angles C4'-P-C4' energy: -20.270
flat angles P-C4'-P energy: -6.303
tors. eta vs tors. theta energy: -25.434
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 104
Temperature: 1.100000
Total energy: -270.553885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.553885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.553885 (E_RNA)
where:
Base-Base interactions energy: -181.247
where: short stacking energy: -80.364
Base-Backbone interact. energy: -0.324
local terms energy: -88.982092
where:
bonds (distance) C4'-P energy: -14.231
bonds (distance) P-C4' energy: -19.020
flat angles C4'-P-C4' energy: -20.709
flat angles P-C4'-P energy: -14.424
tors. eta vs tors. theta energy: -20.598
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 104
Temperature: 1.150000
Total energy: -236.535610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.535610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.535610 (E_RNA)
where:
Base-Base interactions energy: -152.686
where: short stacking energy: -75.660
Base-Backbone interact. energy: -0.941
local terms energy: -82.908608
where:
bonds (distance) C4'-P energy: -19.162
bonds (distance) P-C4' energy: -22.309
flat angles C4'-P-C4' energy: -15.110
flat angles P-C4'-P energy: -11.713
tors. eta vs tors. theta energy: -14.615
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 104
Temperature: 1.200000
Total energy: -223.729911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.729911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.729911 (E_RNA)
where:
Base-Base interactions energy: -143.790
where: short stacking energy: -64.047
Base-Backbone interact. energy: -1.426
local terms energy: -78.514518
where:
bonds (distance) C4'-P energy: -14.130
bonds (distance) P-C4' energy: -20.491
flat angles C4'-P-C4' energy: -19.165
flat angles P-C4'-P energy: -9.901
tors. eta vs tors. theta energy: -14.828
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 104
Temperature: 1.250000
Total energy: -115.484749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.484749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.484749 (E_RNA)
where:
Base-Base interactions energy: -44.983
where: short stacking energy: -27.302
Base-Backbone interact. energy: 1.638
local terms energy: -72.139791
where:
bonds (distance) C4'-P energy: -17.030
bonds (distance) P-C4' energy: -18.147
flat angles C4'-P-C4' energy: -20.580
flat angles P-C4'-P energy: -13.764
tors. eta vs tors. theta energy: -2.617
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 104
Temperature: 1.300000
Total energy: -226.317167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.317167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.317167 (E_RNA)
where:
Base-Base interactions energy: -145.063
where: short stacking energy: -64.988
Base-Backbone interact. energy: -0.064
local terms energy: -81.190563
where:
bonds (distance) C4'-P energy: -12.898
bonds (distance) P-C4' energy: -19.141
flat angles C4'-P-C4' energy: -20.676
flat angles P-C4'-P energy: -14.140
tors. eta vs tors. theta energy: -14.336
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 104
Temperature: 1.350000
Total energy: -120.581784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.581784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.581784 (E_RNA)
where:
Base-Base interactions energy: -47.017
where: short stacking energy: -43.977
Base-Backbone interact. energy: 0.570
local terms energy: -74.134378
where:
bonds (distance) C4'-P energy: -15.745
bonds (distance) P-C4' energy: -19.562
flat angles C4'-P-C4' energy: -15.737
flat angles P-C4'-P energy: -10.432
tors. eta vs tors. theta energy: -12.659
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 105
Temperature: 0.900000
Total energy: -336.538250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.538250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.538250 (E_RNA)
where:
Base-Base interactions energy: -243.283
where: short stacking energy: -98.497
Base-Backbone interact. energy: -0.504
local terms energy: -92.751247
where:
bonds (distance) C4'-P energy: -18.477
bonds (distance) P-C4' energy: -13.391
flat angles C4'-P-C4' energy: -20.906
flat angles P-C4'-P energy: -16.205
tors. eta vs tors. theta energy: -23.773
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 105
Temperature: 0.950000
Total energy: -295.681263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.681263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.681263 (E_RNA)
where:
Base-Base interactions energy: -204.965
where: short stacking energy: -89.005
Base-Backbone interact. energy: -0.081
local terms energy: -90.635055
where:
bonds (distance) C4'-P energy: -22.515
bonds (distance) P-C4' energy: -19.444
flat angles C4'-P-C4' energy: -17.213
flat angles P-C4'-P energy: -8.847
tors. eta vs tors. theta energy: -22.616
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 105
Temperature: 1.000000
Total energy: -292.263213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.263213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.263213 (E_RNA)
where:
Base-Base interactions energy: -199.637
where: short stacking energy: -94.078
Base-Backbone interact. energy: -0.451
local terms energy: -92.175466
where:
bonds (distance) C4'-P energy: -13.938
bonds (distance) P-C4' energy: -20.974
flat angles C4'-P-C4' energy: -19.874
flat angles P-C4'-P energy: -13.488
tors. eta vs tors. theta energy: -23.901
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 105
Temperature: 1.050000
Total energy: -289.980346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.980346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.980346 (E_RNA)
where:
Base-Base interactions energy: -203.069
where: short stacking energy: -92.956
Base-Backbone interact. energy: -0.387
local terms energy: -86.524383
where:
bonds (distance) C4'-P energy: -14.732
bonds (distance) P-C4' energy: -21.185
flat angles C4'-P-C4' energy: -16.897
flat angles P-C4'-P energy: -11.963
tors. eta vs tors. theta energy: -21.748
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 105
Temperature: 1.100000
Total energy: -267.083982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.083982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.083982 (E_RNA)
where:
Base-Base interactions energy: -177.223
where: short stacking energy: -81.325
Base-Backbone interact. energy: -0.143
local terms energy: -89.717763
where:
bonds (distance) C4'-P energy: -21.255
bonds (distance) P-C4' energy: -13.361
flat angles C4'-P-C4' energy: -17.118
flat angles P-C4'-P energy: -12.666
tors. eta vs tors. theta energy: -25.318
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 105
Temperature: 1.150000
Total energy: -233.265072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.265072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.265072 (E_RNA)
where:
Base-Base interactions energy: -151.066
where: short stacking energy: -70.729
Base-Backbone interact. energy: -0.544
local terms energy: -81.655836
where:
bonds (distance) C4'-P energy: -21.223
bonds (distance) P-C4' energy: -22.910
flat angles C4'-P-C4' energy: -12.985
flat angles P-C4'-P energy: -8.368
tors. eta vs tors. theta energy: -16.170
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 105
Temperature: 1.200000
Total energy: -216.758425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.758425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.758425 (E_RNA)
where:
Base-Base interactions energy: -131.914
where: short stacking energy: -50.001
Base-Backbone interact. energy: -0.144
local terms energy: -84.700751
where:
bonds (distance) C4'-P energy: -23.110
bonds (distance) P-C4' energy: -19.202
flat angles C4'-P-C4' energy: -14.171
flat angles P-C4'-P energy: -18.394
tors. eta vs tors. theta energy: -9.825
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 105
Temperature: 1.250000
Total energy: -223.091608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.091608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.091608 (E_RNA)
where:
Base-Base interactions energy: -142.297
where: short stacking energy: -68.062
Base-Backbone interact. energy: 0.439
local terms energy: -81.232968
where:
bonds (distance) C4'-P energy: -19.401
bonds (distance) P-C4' energy: -14.662
flat angles C4'-P-C4' energy: -16.406
flat angles P-C4'-P energy: -11.851
tors. eta vs tors. theta energy: -18.912
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 105
Temperature: 1.300000
Total energy: -158.167032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.167032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.167032 (E_RNA)
where:
Base-Base interactions energy: -85.461
where: short stacking energy: -58.072
Base-Backbone interact. energy: -0.261
local terms energy: -72.445029
where:
bonds (distance) C4'-P energy: -15.420
bonds (distance) P-C4' energy: -16.401
flat angles C4'-P-C4' energy: -13.944
flat angles P-C4'-P energy: -12.159
tors. eta vs tors. theta energy: -14.521
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 105
Temperature: 1.350000
Total energy: -106.537155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.537155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.537155 (E_RNA)
where:
Base-Base interactions energy: -54.488
where: short stacking energy: -39.830
Base-Backbone interact. energy: 0.461
local terms energy: -52.509827
where:
bonds (distance) C4'-P energy: -10.305
bonds (distance) P-C4' energy: -21.080
flat angles C4'-P-C4' energy: -13.232
flat angles P-C4'-P energy: -6.180
tors. eta vs tors. theta energy: -1.713
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 106
Temperature: 0.900000
Total energy: -339.962900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.962900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.962900 (E_RNA)
where:
Base-Base interactions energy: -239.281
where: short stacking energy: -98.977
Base-Backbone interact. energy: 2.531
local terms energy: -103.212447
where:
bonds (distance) C4'-P energy: -19.980
bonds (distance) P-C4' energy: -22.506
flat angles C4'-P-C4' energy: -23.737
flat angles P-C4'-P energy: -15.529
tors. eta vs tors. theta energy: -21.462
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 106
Temperature: 0.950000
Total energy: -299.365698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.365698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.365698 (E_RNA)
where:
Base-Base interactions energy: -198.896
where: short stacking energy: -92.596
Base-Backbone interact. energy: -1.136
local terms energy: -99.334133
where:
bonds (distance) C4'-P energy: -21.185
bonds (distance) P-C4' energy: -19.816
flat angles C4'-P-C4' energy: -20.350
flat angles P-C4'-P energy: -10.398
tors. eta vs tors. theta energy: -27.585
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 106
Temperature: 1.000000
Total energy: -288.652953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.652953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.652953 (E_RNA)
where:
Base-Base interactions energy: -195.943
where: short stacking energy: -83.768
Base-Backbone interact. energy: -0.198
local terms energy: -92.511700
where:
bonds (distance) C4'-P energy: -17.161
bonds (distance) P-C4' energy: -18.774
flat angles C4'-P-C4' energy: -21.689
flat angles P-C4'-P energy: -10.662
tors. eta vs tors. theta energy: -24.226
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 106
Temperature: 1.050000
Total energy: -249.180737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.180737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.180737 (E_RNA)
where:
Base-Base interactions energy: -163.151
where: short stacking energy: -70.663
Base-Backbone interact. energy: -0.919
local terms energy: -85.110966
where:
bonds (distance) C4'-P energy: -19.087
bonds (distance) P-C4' energy: -18.836
flat angles C4'-P-C4' energy: -17.242
flat angles P-C4'-P energy: -14.621
tors. eta vs tors. theta energy: -15.326
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 106
Temperature: 1.100000
Total energy: -231.741410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.741410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.741410 (E_RNA)
where:
Base-Base interactions energy: -158.213
where: short stacking energy: -72.163
Base-Backbone interact. energy: -0.310
local terms energy: -73.218656
where:
bonds (distance) C4'-P energy: -18.599
bonds (distance) P-C4' energy: -18.829
flat angles C4'-P-C4' energy: -7.826
flat angles P-C4'-P energy: -13.224
tors. eta vs tors. theta energy: -14.742
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 106
Temperature: 1.150000
Total energy: -242.650679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.650679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.650679 (E_RNA)
where:
Base-Base interactions energy: -163.705
where: short stacking energy: -74.740
Base-Backbone interact. energy: -1.184
local terms energy: -77.762202
where:
bonds (distance) C4'-P energy: -15.667
bonds (distance) P-C4' energy: -20.632
flat angles C4'-P-C4' energy: -16.177
flat angles P-C4'-P energy: -9.043
tors. eta vs tors. theta energy: -16.245
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 106
Temperature: 1.200000
Total energy: -235.586148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.586148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.586148 (E_RNA)
where:
Base-Base interactions energy: -158.606
where: short stacking energy: -63.759
Base-Backbone interact. energy: -0.702
local terms energy: -76.277710
where:
bonds (distance) C4'-P energy: -16.869
bonds (distance) P-C4' energy: -17.240
flat angles C4'-P-C4' energy: -18.301
flat angles P-C4'-P energy: -9.375
tors. eta vs tors. theta energy: -14.493
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 106
Temperature: 1.250000
Total energy: -199.295627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.295627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.295627 (E_RNA)
where:
Base-Base interactions energy: -136.404
where: short stacking energy: -56.258
Base-Backbone interact. energy: -0.701
local terms energy: -62.191443
where:
bonds (distance) C4'-P energy: -10.658
bonds (distance) P-C4' energy: -21.023
flat angles C4'-P-C4' energy: -7.127
flat angles P-C4'-P energy: -13.659
tors. eta vs tors. theta energy: -9.724
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 106
Temperature: 1.300000
Total energy: -106.126199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.126199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.126199 (E_RNA)
where:
Base-Base interactions energy: -39.875
where: short stacking energy: -39.875
Base-Backbone interact. energy: -0.023
local terms energy: -66.228903
where:
bonds (distance) C4'-P energy: -12.596
bonds (distance) P-C4' energy: -21.771
flat angles C4'-P-C4' energy: -16.890
flat angles P-C4'-P energy: -10.273
tors. eta vs tors. theta energy: -4.698
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 106
Temperature: 1.350000
Total energy: -126.106845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.106845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.106845 (E_RNA)
where:
Base-Base interactions energy: -63.682
where: short stacking energy: -39.473
Base-Backbone interact. energy: 1.451
local terms energy: -63.876674
where:
bonds (distance) C4'-P energy: -20.573
bonds (distance) P-C4' energy: -14.194
flat angles C4'-P-C4' energy: -16.727
flat angles P-C4'-P energy: -8.992
tors. eta vs tors. theta energy: -3.391
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 107
Temperature: 0.900000
Total energy: -338.810887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.810887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.810887 (E_RNA)
where:
Base-Base interactions energy: -247.253
where: short stacking energy: -102.357
Base-Backbone interact. energy: 0.456
local terms energy: -92.013517
where:
bonds (distance) C4'-P energy: -16.325
bonds (distance) P-C4' energy: -19.186
flat angles C4'-P-C4' energy: -21.765
flat angles P-C4'-P energy: -12.935
tors. eta vs tors. theta energy: -21.801
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 107
Temperature: 0.950000
Total energy: -297.267694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.267694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.267694 (E_RNA)
where:
Base-Base interactions energy: -196.400
where: short stacking energy: -91.718
Base-Backbone interact. energy: -1.385
local terms energy: -99.482709
where:
bonds (distance) C4'-P energy: -21.062
bonds (distance) P-C4' energy: -20.538
flat angles C4'-P-C4' energy: -21.458
flat angles P-C4'-P energy: -11.408
tors. eta vs tors. theta energy: -25.017
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 107
Temperature: 1.000000
Total energy: -273.665211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.665211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.665211 (E_RNA)
where:
Base-Base interactions energy: -186.496
where: short stacking energy: -82.724
Base-Backbone interact. energy: -0.344
local terms energy: -86.824992
where:
bonds (distance) C4'-P energy: -15.447
bonds (distance) P-C4' energy: -14.847
flat angles C4'-P-C4' energy: -21.015
flat angles P-C4'-P energy: -13.000
tors. eta vs tors. theta energy: -22.516
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 107
Temperature: 1.050000
Total energy: -254.587712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.587712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.587712 (E_RNA)
where:
Base-Base interactions energy: -154.427
where: short stacking energy: -80.673
Base-Backbone interact. energy: -0.390
local terms energy: -99.770953
where:
bonds (distance) C4'-P energy: -17.957
bonds (distance) P-C4' energy: -20.471
flat angles C4'-P-C4' energy: -21.671
flat angles P-C4'-P energy: -17.896
tors. eta vs tors. theta energy: -21.776
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 107
Temperature: 1.100000
Total energy: -260.891634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.891634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.891634 (E_RNA)
where:
Base-Base interactions energy: -179.185
where: short stacking energy: -74.011
Base-Backbone interact. energy: -0.100
local terms energy: -81.606940
where:
bonds (distance) C4'-P energy: -20.348
bonds (distance) P-C4' energy: -18.974
flat angles C4'-P-C4' energy: -18.177
flat angles P-C4'-P energy: -10.956
tors. eta vs tors. theta energy: -13.151
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 107
Temperature: 1.150000
Total energy: -242.983828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.983828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.983828 (E_RNA)
where:
Base-Base interactions energy: -165.990
where: short stacking energy: -80.851
Base-Backbone interact. energy: -1.186
local terms energy: -75.808140
where:
bonds (distance) C4'-P energy: -20.498
bonds (distance) P-C4' energy: -12.014
flat angles C4'-P-C4' energy: -17.872
flat angles P-C4'-P energy: -8.124
tors. eta vs tors. theta energy: -17.300
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 107
Temperature: 1.200000
Total energy: -253.508190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.508190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.508190 (E_RNA)
where:
Base-Base interactions energy: -164.908
where: short stacking energy: -88.267
Base-Backbone interact. energy: -0.005
local terms energy: -88.595227
where:
bonds (distance) C4'-P energy: -15.032
bonds (distance) P-C4' energy: -13.674
flat angles C4'-P-C4' energy: -19.640
flat angles P-C4'-P energy: -18.803
tors. eta vs tors. theta energy: -21.446
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 107
Temperature: 1.250000
Total energy: -168.039221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.039221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.039221 (E_RNA)
where:
Base-Base interactions energy: -103.648
where: short stacking energy: -54.183
Base-Backbone interact. energy: 1.536
local terms energy: -65.927033
where:
bonds (distance) C4'-P energy: -16.993
bonds (distance) P-C4' energy: -18.290
flat angles C4'-P-C4' energy: -16.536
flat angles P-C4'-P energy: -8.603
tors. eta vs tors. theta energy: -5.506
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 107
Temperature: 1.300000
Total energy: -115.997463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.997463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.997463 (E_RNA)
where:
Base-Base interactions energy: -45.227
where: short stacking energy: -44.437
Base-Backbone interact. energy: -0.125
local terms energy: -70.644684
where:
bonds (distance) C4'-P energy: -16.446
bonds (distance) P-C4' energy: -20.542
flat angles C4'-P-C4' energy: -16.909
flat angles P-C4'-P energy: -6.039
tors. eta vs tors. theta energy: -10.710
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 107
Temperature: 1.350000
Total energy: -101.473059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.473059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.473059 (E_RNA)
where:
Base-Base interactions energy: -47.877
where: short stacking energy: -32.942
Base-Backbone interact. energy: -0.120
local terms energy: -53.476755
where:
bonds (distance) C4'-P energy: -16.710
bonds (distance) P-C4' energy: -16.160
flat angles C4'-P-C4' energy: -9.360
flat angles P-C4'-P energy: -10.455
tors. eta vs tors. theta energy: -0.792
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 108
Temperature: 0.900000
Total energy: -339.674684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.674684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.674684 (E_RNA)
where:
Base-Base interactions energy: -237.306
where: short stacking energy: -102.746
Base-Backbone interact. energy: -0.645
local terms energy: -101.723862
where:
bonds (distance) C4'-P energy: -21.092
bonds (distance) P-C4' energy: -20.245
flat angles C4'-P-C4' energy: -22.253
flat angles P-C4'-P energy: -11.674
tors. eta vs tors. theta energy: -26.459
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 108
Temperature: 0.950000
Total energy: -289.886097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.886097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.886097 (E_RNA)
where:
Base-Base interactions energy: -192.869
where: short stacking energy: -80.757
Base-Backbone interact. energy: -0.377
local terms energy: -96.640136
where:
bonds (distance) C4'-P energy: -20.430
bonds (distance) P-C4' energy: -18.423
flat angles C4'-P-C4' energy: -20.335
flat angles P-C4'-P energy: -13.056
tors. eta vs tors. theta energy: -24.397
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 108
Temperature: 1.000000
Total energy: -258.517485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.517485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.517485 (E_RNA)
where:
Base-Base interactions energy: -166.337
where: short stacking energy: -73.644
Base-Backbone interact. energy: -2.218
local terms energy: -89.962605
where:
bonds (distance) C4'-P energy: -17.949
bonds (distance) P-C4' energy: -16.795
flat angles C4'-P-C4' energy: -20.196
flat angles P-C4'-P energy: -15.809
tors. eta vs tors. theta energy: -19.214
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 108
Temperature: 1.050000
Total energy: -267.003552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.003552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.003552 (E_RNA)
where:
Base-Base interactions energy: -179.104
where: short stacking energy: -80.881
Base-Backbone interact. energy: -0.058
local terms energy: -87.842153
where:
bonds (distance) C4'-P energy: -13.247
bonds (distance) P-C4' energy: -20.814
flat angles C4'-P-C4' energy: -17.441
flat angles P-C4'-P energy: -12.865
tors. eta vs tors. theta energy: -23.475
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 108
Temperature: 1.100000
Total energy: -261.534782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.534782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.534782 (E_RNA)
where:
Base-Base interactions energy: -178.779
where: short stacking energy: -77.183
Base-Backbone interact. energy: -0.184
local terms energy: -82.571393
where:
bonds (distance) C4'-P energy: -18.950
bonds (distance) P-C4' energy: -18.270
flat angles C4'-P-C4' energy: -15.578
flat angles P-C4'-P energy: -13.057
tors. eta vs tors. theta energy: -16.717
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 108
Temperature: 1.150000
Total energy: -233.935349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.935349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.935349 (E_RNA)
where:
Base-Base interactions energy: -161.597
where: short stacking energy: -64.850
Base-Backbone interact. energy: 2.309
local terms energy: -74.647831
where:
bonds (distance) C4'-P energy: -12.687
bonds (distance) P-C4' energy: -18.770
flat angles C4'-P-C4' energy: -17.661
flat angles P-C4'-P energy: -15.402
tors. eta vs tors. theta energy: -10.127
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 108
Temperature: 1.200000
Total energy: -234.002080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.002080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.002080 (E_RNA)
where:
Base-Base interactions energy: -154.961
where: short stacking energy: -66.407
Base-Backbone interact. energy: -0.424
local terms energy: -78.616913
where:
bonds (distance) C4'-P energy: -17.144
bonds (distance) P-C4' energy: -19.436
flat angles C4'-P-C4' energy: -12.970
flat angles P-C4'-P energy: -16.874
tors. eta vs tors. theta energy: -12.192
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 108
Temperature: 1.250000
Total energy: -176.371610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.371610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.371610 (E_RNA)
where:
Base-Base interactions energy: -104.734
where: short stacking energy: -53.630
Base-Backbone interact. energy: -0.152
local terms energy: -71.485485
where:
bonds (distance) C4'-P energy: -19.030
bonds (distance) P-C4' energy: -18.382
flat angles C4'-P-C4' energy: -16.975
flat angles P-C4'-P energy: -8.882
tors. eta vs tors. theta energy: -8.218
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 108
Temperature: 1.300000
Total energy: -111.363517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.363517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.363517 (E_RNA)
where:
Base-Base interactions energy: -50.382
where: short stacking energy: -48.595
Base-Backbone interact. energy: 0.754
local terms energy: -61.734741
where:
bonds (distance) C4'-P energy: -9.862
bonds (distance) P-C4' energy: -20.715
flat angles C4'-P-C4' energy: -14.195
flat angles P-C4'-P energy: -12.376
tors. eta vs tors. theta energy: -4.586
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 108
Temperature: 1.350000
Total energy: -99.410773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.410773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.410773 (E_RNA)
where:
Base-Base interactions energy: -58.800
where: short stacking energy: -31.787
Base-Backbone interact. energy: -0.905
local terms energy: -39.704964
where:
bonds (distance) C4'-P energy: -12.991
bonds (distance) P-C4' energy: -11.752
flat angles C4'-P-C4' energy: -16.759
flat angles P-C4'-P energy: -1.423
tors. eta vs tors. theta energy: 3.220
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 109
Temperature: 0.900000
Total energy: -340.359297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.359297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.359297 (E_RNA)
where:
Base-Base interactions energy: -239.386
where: short stacking energy: -103.004
Base-Backbone interact. energy: -0.734
local terms energy: -100.239538
where:
bonds (distance) C4'-P energy: -22.411
bonds (distance) P-C4' energy: -20.259
flat angles C4'-P-C4' energy: -19.675
flat angles P-C4'-P energy: -14.017
tors. eta vs tors. theta energy: -23.877
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 109
Temperature: 0.950000
Total energy: -297.854570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.854570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.854570 (E_RNA)
where:
Base-Base interactions energy: -195.578
where: short stacking energy: -89.063
Base-Backbone interact. energy: 1.200
local terms energy: -103.476238
where:
bonds (distance) C4'-P energy: -20.527
bonds (distance) P-C4' energy: -20.002
flat angles C4'-P-C4' energy: -21.980
flat angles P-C4'-P energy: -17.827
tors. eta vs tors. theta energy: -23.140
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 109
Temperature: 1.000000
Total energy: -253.133142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.133142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.133142 (E_RNA)
where:
Base-Base interactions energy: -167.639
where: short stacking energy: -75.256
Base-Backbone interact. energy: -0.481
local terms energy: -85.012871
where:
bonds (distance) C4'-P energy: -16.135
bonds (distance) P-C4' energy: -18.624
flat angles C4'-P-C4' energy: -23.163
flat angles P-C4'-P energy: -12.492
tors. eta vs tors. theta energy: -14.599
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 109
Temperature: 1.050000
Total energy: -268.379489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.379489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.379489 (E_RNA)
where:
Base-Base interactions energy: -178.615
where: short stacking energy: -80.762
Base-Backbone interact. energy: -0.367
local terms energy: -89.397036
where:
bonds (distance) C4'-P energy: -20.615
bonds (distance) P-C4' energy: -15.434
flat angles C4'-P-C4' energy: -19.314
flat angles P-C4'-P energy: -14.572
tors. eta vs tors. theta energy: -19.463
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 109
Temperature: 1.100000
Total energy: -250.565999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.565999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.565999 (E_RNA)
where:
Base-Base interactions energy: -161.718
where: short stacking energy: -70.764
Base-Backbone interact. energy: -0.111
local terms energy: -88.737265
where:
bonds (distance) C4'-P energy: -19.451
bonds (distance) P-C4' energy: -19.103
flat angles C4'-P-C4' energy: -18.539
flat angles P-C4'-P energy: -12.143
tors. eta vs tors. theta energy: -19.503
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 109
Temperature: 1.150000
Total energy: -243.809367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.809367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.809367 (E_RNA)
where:
Base-Base interactions energy: -162.554
where: short stacking energy: -72.014
Base-Backbone interact. energy: -0.657
local terms energy: -80.598305
where:
bonds (distance) C4'-P energy: -20.022
bonds (distance) P-C4' energy: -18.489
flat angles C4'-P-C4' energy: -17.616
flat angles P-C4'-P energy: -8.141
tors. eta vs tors. theta energy: -16.330
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 109
Temperature: 1.200000
Total energy: -234.167481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.167481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.167481 (E_RNA)
where:
Base-Base interactions energy: -147.554
where: short stacking energy: -67.073
Base-Backbone interact. energy: -0.120
local terms energy: -86.493868
where:
bonds (distance) C4'-P energy: -19.160
bonds (distance) P-C4' energy: -17.488
flat angles C4'-P-C4' energy: -21.502
flat angles P-C4'-P energy: -13.670
tors. eta vs tors. theta energy: -14.674
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 109
Temperature: 1.250000
Total energy: -136.024563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.024563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.024563 (E_RNA)
where:
Base-Base interactions energy: -69.437
where: short stacking energy: -27.069
Base-Backbone interact. energy: -0.339
local terms energy: -66.248607
where:
bonds (distance) C4'-P energy: -15.053
bonds (distance) P-C4' energy: -16.216
flat angles C4'-P-C4' energy: -18.314
flat angles P-C4'-P energy: -12.033
tors. eta vs tors. theta energy: -4.632
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 109
Temperature: 1.300000
Total energy: -99.741752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.741752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.741752 (E_RNA)
where:
Base-Base interactions energy: -37.159
where: short stacking energy: -37.159
Base-Backbone interact. energy: -0.080
local terms energy: -62.502846
where:
bonds (distance) C4'-P energy: -17.410
bonds (distance) P-C4' energy: -13.930
flat angles C4'-P-C4' energy: -18.001
flat angles P-C4'-P energy: -10.606
tors. eta vs tors. theta energy: -2.556
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 109
Temperature: 1.350000
Total energy: -116.388636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.388636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.388636 (E_RNA)
where:
Base-Base interactions energy: -51.302
where: short stacking energy: -45.694
Base-Backbone interact. energy: -0.865
local terms energy: -64.222181
where:
bonds (distance) C4'-P energy: -17.741
bonds (distance) P-C4' energy: -16.236
flat angles C4'-P-C4' energy: -12.711
flat angles P-C4'-P energy: -10.793
tors. eta vs tors. theta energy: -6.741
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 110
Temperature: 0.900000
Total energy: -342.776019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.776019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.776019 (E_RNA)
where:
Base-Base interactions energy: -253.132
where: short stacking energy: -107.284
Base-Backbone interact. energy: -0.683
local terms energy: -88.961088
where:
bonds (distance) C4'-P energy: -18.142
bonds (distance) P-C4' energy: -15.185
flat angles C4'-P-C4' energy: -17.368
flat angles P-C4'-P energy: -13.515
tors. eta vs tors. theta energy: -24.750
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 110
Temperature: 0.950000
Total energy: -294.050387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.050387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.050387 (E_RNA)
where:
Base-Base interactions energy: -198.633
where: short stacking energy: -81.546
Base-Backbone interact. energy: -0.190
local terms energy: -95.227384
where:
bonds (distance) C4'-P energy: -17.526
bonds (distance) P-C4' energy: -19.725
flat angles C4'-P-C4' energy: -20.708
flat angles P-C4'-P energy: -16.831
tors. eta vs tors. theta energy: -20.437
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 110
Temperature: 1.000000
Total energy: -288.342468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.342468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.342468 (E_RNA)
where:
Base-Base interactions energy: -195.311
where: short stacking energy: -88.391
Base-Backbone interact. energy: -0.181
local terms energy: -92.850412
where:
bonds (distance) C4'-P energy: -18.128
bonds (distance) P-C4' energy: -15.764
flat angles C4'-P-C4' energy: -22.441
flat angles P-C4'-P energy: -14.178
tors. eta vs tors. theta energy: -22.339
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 110
Temperature: 1.050000
Total energy: -252.454275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.454275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.454275 (E_RNA)
where:
Base-Base interactions energy: -168.790
where: short stacking energy: -69.603
Base-Backbone interact. energy: -0.290
local terms energy: -83.373959
where:
bonds (distance) C4'-P energy: -18.746
bonds (distance) P-C4' energy: -22.182
flat angles C4'-P-C4' energy: -14.526
flat angles P-C4'-P energy: -8.338
tors. eta vs tors. theta energy: -19.582
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 110
Temperature: 1.100000
Total energy: -264.950267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.950267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.950267 (E_RNA)
where:
Base-Base interactions energy: -169.755
where: short stacking energy: -87.532
Base-Backbone interact. energy: 1.713
local terms energy: -96.908740
where:
bonds (distance) C4'-P energy: -18.338
bonds (distance) P-C4' energy: -17.704
flat angles C4'-P-C4' energy: -18.470
flat angles P-C4'-P energy: -18.992
tors. eta vs tors. theta energy: -23.406
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 110
Temperature: 1.150000
Total energy: -249.785311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.785311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.785311 (E_RNA)
where:
Base-Base interactions energy: -163.333
where: short stacking energy: -81.307
Base-Backbone interact. energy: -0.106
local terms energy: -86.345644
where:
bonds (distance) C4'-P energy: -19.099
bonds (distance) P-C4' energy: -17.809
flat angles C4'-P-C4' energy: -14.928
flat angles P-C4'-P energy: -15.092
tors. eta vs tors. theta energy: -19.418
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 110
Temperature: 1.200000
Total energy: -246.228355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.228355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.228355 (E_RNA)
where:
Base-Base interactions energy: -157.242
where: short stacking energy: -80.298
Base-Backbone interact. energy: -0.221
local terms energy: -88.765560
where:
bonds (distance) C4'-P energy: -17.684
bonds (distance) P-C4' energy: -19.587
flat angles C4'-P-C4' energy: -16.735
flat angles P-C4'-P energy: -15.438
tors. eta vs tors. theta energy: -19.322
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 110
Temperature: 1.250000
Total energy: -119.898094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.898094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.898094 (E_RNA)
where:
Base-Base interactions energy: -51.013
where: short stacking energy: -43.187
Base-Backbone interact. energy: -0.190
local terms energy: -68.695251
where:
bonds (distance) C4'-P energy: -18.396
bonds (distance) P-C4' energy: -15.985
flat angles C4'-P-C4' energy: -16.511
flat angles P-C4'-P energy: -10.388
tors. eta vs tors. theta energy: -7.415
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 110
Temperature: 1.300000
Total energy: -144.522638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.522638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.522638 (E_RNA)
where:
Base-Base interactions energy: -86.457
where: short stacking energy: -36.499
Base-Backbone interact. energy: -0.192
local terms energy: -57.873406
where:
bonds (distance) C4'-P energy: -20.047
bonds (distance) P-C4' energy: -10.320
flat angles C4'-P-C4' energy: -16.376
flat angles P-C4'-P energy: -9.741
tors. eta vs tors. theta energy: -1.389
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 110
Temperature: 1.350000
Total energy: -95.361255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.361255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.361255 (E_RNA)
where:
Base-Base interactions energy: -38.101
where: short stacking energy: -29.853
Base-Backbone interact. energy: 0.259
local terms energy: -57.519412
where:
bonds (distance) C4'-P energy: -16.938
bonds (distance) P-C4' energy: -17.813
flat angles C4'-P-C4' energy: -11.125
flat angles P-C4'-P energy: -10.912
tors. eta vs tors. theta energy: -0.730
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 111
Temperature: 0.900000
Total energy: -337.760458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.760458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.760458 (E_RNA)
where:
Base-Base interactions energy: -240.584
where: short stacking energy: -92.537
Base-Backbone interact. energy: 0.022
local terms energy: -97.198053
where:
bonds (distance) C4'-P energy: -20.551
bonds (distance) P-C4' energy: -17.376
flat angles C4'-P-C4' energy: -19.548
flat angles P-C4'-P energy: -15.025
tors. eta vs tors. theta energy: -24.697
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 111
Temperature: 0.950000
Total energy: -272.694190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.694190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.694190 (E_RNA)
where:
Base-Base interactions energy: -184.541
where: short stacking energy: -86.568
Base-Backbone interact. energy: -0.558
local terms energy: -87.594994
where:
bonds (distance) C4'-P energy: -17.102
bonds (distance) P-C4' energy: -23.694
flat angles C4'-P-C4' energy: -20.236
flat angles P-C4'-P energy: -6.875
tors. eta vs tors. theta energy: -19.688
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 111
Temperature: 1.000000
Total energy: -282.637251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.637251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.637251 (E_RNA)
where:
Base-Base interactions energy: -188.133
where: short stacking energy: -80.592
Base-Backbone interact. energy: -0.550
local terms energy: -93.954968
where:
bonds (distance) C4'-P energy: -19.884
bonds (distance) P-C4' energy: -21.130
flat angles C4'-P-C4' energy: -16.221
flat angles P-C4'-P energy: -14.098
tors. eta vs tors. theta energy: -22.622
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 111
Temperature: 1.050000
Total energy: -250.705548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.705548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.705548 (E_RNA)
where:
Base-Base interactions energy: -162.047
where: short stacking energy: -68.184
Base-Backbone interact. energy: 0.126
local terms energy: -88.784256
where:
bonds (distance) C4'-P energy: -20.776
bonds (distance) P-C4' energy: -19.241
flat angles C4'-P-C4' energy: -23.168
flat angles P-C4'-P energy: -10.984
tors. eta vs tors. theta energy: -14.614
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 111
Temperature: 1.100000
Total energy: -233.419095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.419095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.419095 (E_RNA)
where:
Base-Base interactions energy: -143.062
where: short stacking energy: -67.787
Base-Backbone interact. energy: -0.044
local terms energy: -90.312675
where:
bonds (distance) C4'-P energy: -19.393
bonds (distance) P-C4' energy: -20.729
flat angles C4'-P-C4' energy: -19.850
flat angles P-C4'-P energy: -16.877
tors. eta vs tors. theta energy: -13.462
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 111
Temperature: 1.150000
Total energy: -244.979389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.979389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.979389 (E_RNA)
where:
Base-Base interactions energy: -160.719
where: short stacking energy: -74.017
Base-Backbone interact. energy: -0.071
local terms energy: -84.189658
where:
bonds (distance) C4'-P energy: -19.044
bonds (distance) P-C4' energy: -14.078
flat angles C4'-P-C4' energy: -17.452
flat angles P-C4'-P energy: -15.469
tors. eta vs tors. theta energy: -18.147
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 111
Temperature: 1.200000
Total energy: -236.366444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.366444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.366444 (E_RNA)
where:
Base-Base interactions energy: -155.907
where: short stacking energy: -71.031
Base-Backbone interact. energy: -0.014
local terms energy: -80.445764
where:
bonds (distance) C4'-P energy: -19.594
bonds (distance) P-C4' energy: -17.418
flat angles C4'-P-C4' energy: -14.825
flat angles P-C4'-P energy: -15.883
tors. eta vs tors. theta energy: -12.725
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 111
Temperature: 1.250000
Total energy: -210.023111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.023111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.023111 (E_RNA)
where:
Base-Base interactions energy: -133.304
where: short stacking energy: -72.082
Base-Backbone interact. energy: -0.751
local terms energy: -75.967814
where:
bonds (distance) C4'-P energy: -7.913
bonds (distance) P-C4' energy: -20.103
flat angles C4'-P-C4' energy: -19.181
flat angles P-C4'-P energy: -13.733
tors. eta vs tors. theta energy: -15.037
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 111
Temperature: 1.300000
Total energy: -114.405128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.405128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.405128 (E_RNA)
where:
Base-Base interactions energy: -43.951
where: short stacking energy: -41.748
Base-Backbone interact. energy: -0.352
local terms energy: -70.102133
where:
bonds (distance) C4'-P energy: -15.741
bonds (distance) P-C4' energy: -19.111
flat angles C4'-P-C4' energy: -18.976
flat angles P-C4'-P energy: -10.669
tors. eta vs tors. theta energy: -5.605
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 111
Temperature: 1.350000
Total energy: -100.292016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.292016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.292016 (E_RNA)
where:
Base-Base interactions energy: -40.759
where: short stacking energy: -28.881
Base-Backbone interact. energy: -0.234
local terms energy: -59.299051
where:
bonds (distance) C4'-P energy: -9.222
bonds (distance) P-C4' energy: -22.415
flat angles C4'-P-C4' energy: -15.661
flat angles P-C4'-P energy: -9.507
tors. eta vs tors. theta energy: -2.493
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 112
Temperature: 0.900000
Total energy: -331.528084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.528084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.528084 (E_RNA)
where:
Base-Base interactions energy: -236.829
where: short stacking energy: -99.420
Base-Backbone interact. energy: -1.396
local terms energy: -93.302768
where:
bonds (distance) C4'-P energy: -16.901
bonds (distance) P-C4' energy: -15.325
flat angles C4'-P-C4' energy: -19.062
flat angles P-C4'-P energy: -15.304
tors. eta vs tors. theta energy: -26.711
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 112
Temperature: 0.950000
Total energy: -268.998295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.998295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.998295 (E_RNA)
where:
Base-Base interactions energy: -170.869
where: short stacking energy: -76.841
Base-Backbone interact. energy: -0.242
local terms energy: -97.887268
where:
bonds (distance) C4'-P energy: -22.338
bonds (distance) P-C4' energy: -21.755
flat angles C4'-P-C4' energy: -19.603
flat angles P-C4'-P energy: -14.601
tors. eta vs tors. theta energy: -19.591
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 112
Temperature: 1.000000
Total energy: -274.075428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.075428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.075428 (E_RNA)
where:
Base-Base interactions energy: -185.838
where: short stacking energy: -90.756
Base-Backbone interact. energy: -0.454
local terms energy: -87.784280
where:
bonds (distance) C4'-P energy: -19.439
bonds (distance) P-C4' energy: -16.954
flat angles C4'-P-C4' energy: -18.459
flat angles P-C4'-P energy: -12.941
tors. eta vs tors. theta energy: -19.991
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 112
Temperature: 1.050000
Total energy: -277.671648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.671648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.671648 (E_RNA)
where:
Base-Base interactions energy: -194.767
where: short stacking energy: -88.478
Base-Backbone interact. energy: -0.091
local terms energy: -82.813175
where:
bonds (distance) C4'-P energy: -19.314
bonds (distance) P-C4' energy: -13.777
flat angles C4'-P-C4' energy: -14.808
flat angles P-C4'-P energy: -14.018
tors. eta vs tors. theta energy: -20.896
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 112
Temperature: 1.100000
Total energy: -253.057050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.057050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.057050 (E_RNA)
where:
Base-Base interactions energy: -163.086
where: short stacking energy: -84.589
Base-Backbone interact. energy: -0.307
local terms energy: -89.664133
where:
bonds (distance) C4'-P energy: -16.322
bonds (distance) P-C4' energy: -18.995
flat angles C4'-P-C4' energy: -18.486
flat angles P-C4'-P energy: -11.539
tors. eta vs tors. theta energy: -24.322
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 112
Temperature: 1.150000
Total energy: -260.413843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.413843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.413843 (E_RNA)
where:
Base-Base interactions energy: -175.960
where: short stacking energy: -83.059
Base-Backbone interact. energy: -0.145
local terms energy: -84.308808
where:
bonds (distance) C4'-P energy: -16.168
bonds (distance) P-C4' energy: -19.155
flat angles C4'-P-C4' energy: -16.291
flat angles P-C4'-P energy: -12.538
tors. eta vs tors. theta energy: -20.157
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 112
Temperature: 1.200000
Total energy: -229.584922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.584922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.584922 (E_RNA)
where:
Base-Base interactions energy: -157.836
where: short stacking energy: -62.727
Base-Backbone interact. energy: -0.210
local terms energy: -71.539196
where:
bonds (distance) C4'-P energy: -9.810
bonds (distance) P-C4' energy: -16.097
flat angles C4'-P-C4' energy: -19.557
flat angles P-C4'-P energy: -12.348
tors. eta vs tors. theta energy: -13.727
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 112
Temperature: 1.250000
Total energy: -241.988658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.988658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.988658 (E_RNA)
where:
Base-Base interactions energy: -158.987
where: short stacking energy: -77.758
Base-Backbone interact. energy: -0.056
local terms energy: -82.944955
where:
bonds (distance) C4'-P energy: -13.877
bonds (distance) P-C4' energy: -20.813
flat angles C4'-P-C4' energy: -18.325
flat angles P-C4'-P energy: -11.838
tors. eta vs tors. theta energy: -18.092
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 112
Temperature: 1.300000
Total energy: -113.023908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.023908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.023908 (E_RNA)
where:
Base-Base interactions energy: -47.928
where: short stacking energy: -47.928
Base-Backbone interact. energy: -0.012
local terms energy: -65.083852
where:
bonds (distance) C4'-P energy: -13.237
bonds (distance) P-C4' energy: -16.262
flat angles C4'-P-C4' energy: -12.300
flat angles P-C4'-P energy: -11.235
tors. eta vs tors. theta energy: -12.051
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 112
Temperature: 1.350000
Total energy: -105.876548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.876548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.876548 (E_RNA)
where:
Base-Base interactions energy: -46.349
where: short stacking energy: -41.317
Base-Backbone interact. energy: -0.257
local terms energy: -59.270636
where:
bonds (distance) C4'-P energy: -17.257
bonds (distance) P-C4' energy: -16.045
flat angles C4'-P-C4' energy: -15.017
flat angles P-C4'-P energy: -6.539
tors. eta vs tors. theta energy: -4.413
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 113
Temperature: 0.900000
Total energy: -336.357873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.357873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.357873 (E_RNA)
where:
Base-Base interactions energy: -234.722
where: short stacking energy: -94.177
Base-Backbone interact. energy: -0.287
local terms energy: -101.349068
where:
bonds (distance) C4'-P energy: -17.510
bonds (distance) P-C4' energy: -22.694
flat angles C4'-P-C4' energy: -19.608
flat angles P-C4'-P energy: -17.283
tors. eta vs tors. theta energy: -24.253
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 113
Temperature: 0.950000
Total energy: -280.482898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.482898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.482898 (E_RNA)
where:
Base-Base interactions energy: -182.921
where: short stacking energy: -73.142
Base-Backbone interact. energy: -3.105
local terms energy: -94.457023
where:
bonds (distance) C4'-P energy: -22.124
bonds (distance) P-C4' energy: -20.830
flat angles C4'-P-C4' energy: -19.221
flat angles P-C4'-P energy: -11.424
tors. eta vs tors. theta energy: -20.858
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 113
Temperature: 1.000000
Total energy: -256.902442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.902442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.902442 (E_RNA)
where:
Base-Base interactions energy: -167.991
where: short stacking energy: -92.446
Base-Backbone interact. energy: -0.017
local terms energy: -88.894003
where:
bonds (distance) C4'-P energy: -16.905
bonds (distance) P-C4' energy: -17.416
flat angles C4'-P-C4' energy: -18.021
flat angles P-C4'-P energy: -13.008
tors. eta vs tors. theta energy: -23.544
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 113
Temperature: 1.050000
Total energy: -253.696609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.696609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.696609 (E_RNA)
where:
Base-Base interactions energy: -164.443
where: short stacking energy: -77.014
Base-Backbone interact. energy: -0.014
local terms energy: -89.239410
where:
bonds (distance) C4'-P energy: -15.173
bonds (distance) P-C4' energy: -20.035
flat angles C4'-P-C4' energy: -21.890
flat angles P-C4'-P energy: -12.915
tors. eta vs tors. theta energy: -19.227
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 113
Temperature: 1.100000
Total energy: -270.524957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.524957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.524957 (E_RNA)
where:
Base-Base interactions energy: -170.339
where: short stacking energy: -80.257
Base-Backbone interact. energy: -0.055
local terms energy: -100.130843
where:
bonds (distance) C4'-P energy: -19.543
bonds (distance) P-C4' energy: -20.101
flat angles C4'-P-C4' energy: -21.674
flat angles P-C4'-P energy: -14.290
tors. eta vs tors. theta energy: -24.523
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 113
Temperature: 1.150000
Total energy: -241.834533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.834533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.834533 (E_RNA)
where:
Base-Base interactions energy: -164.084
where: short stacking energy: -68.754
Base-Backbone interact. energy: -0.203
local terms energy: -77.547946
where:
bonds (distance) C4'-P energy: -14.109
bonds (distance) P-C4' energy: -16.777
flat angles C4'-P-C4' energy: -13.055
flat angles P-C4'-P energy: -14.067
tors. eta vs tors. theta energy: -19.540
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 113
Temperature: 1.200000
Total energy: -246.938214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.938214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.938214 (E_RNA)
where:
Base-Base interactions energy: -166.974
where: short stacking energy: -70.715
Base-Backbone interact. energy: -0.464
local terms energy: -79.500336
where:
bonds (distance) C4'-P energy: -13.795
bonds (distance) P-C4' energy: -16.239
flat angles C4'-P-C4' energy: -13.333
flat angles P-C4'-P energy: -14.946
tors. eta vs tors. theta energy: -21.188
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 113
Temperature: 1.250000
Total energy: -213.630745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.630745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.630745 (E_RNA)
where:
Base-Base interactions energy: -140.189
where: short stacking energy: -62.429
Base-Backbone interact. energy: -0.181
local terms energy: -73.260477
where:
bonds (distance) C4'-P energy: -9.519
bonds (distance) P-C4' energy: -17.321
flat angles C4'-P-C4' energy: -19.701
flat angles P-C4'-P energy: -14.101
tors. eta vs tors. theta energy: -12.619
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 113
Temperature: 1.300000
Total energy: -111.221284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.221284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.221284 (E_RNA)
where:
Base-Base interactions energy: -39.919
where: short stacking energy: -39.919
Base-Backbone interact. energy: -0.064
local terms energy: -71.238088
where:
bonds (distance) C4'-P energy: -18.877
bonds (distance) P-C4' energy: -19.032
flat angles C4'-P-C4' energy: -12.838
flat angles P-C4'-P energy: -12.968
tors. eta vs tors. theta energy: -7.523
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 113
Temperature: 1.350000
Total energy: -97.600639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.600639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.600639 (E_RNA)
where:
Base-Base interactions energy: -39.047
where: short stacking energy: -39.047
Base-Backbone interact. energy: -0.123
local terms energy: -58.430409
where:
bonds (distance) C4'-P energy: -16.752
bonds (distance) P-C4' energy: -20.182
flat angles C4'-P-C4' energy: -10.701
flat angles P-C4'-P energy: -10.528
tors. eta vs tors. theta energy: -0.267
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 114
Temperature: 0.900000
Total energy: -337.228295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.228295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.228295 (E_RNA)
where:
Base-Base interactions energy: -244.488
where: short stacking energy: -97.363
Base-Backbone interact. energy: -0.259
local terms energy: -92.481071
where:
bonds (distance) C4'-P energy: -15.083
bonds (distance) P-C4' energy: -19.656
flat angles C4'-P-C4' energy: -20.870
flat angles P-C4'-P energy: -14.153
tors. eta vs tors. theta energy: -22.720
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 114
Temperature: 0.950000
Total energy: -283.705640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.705640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.705640 (E_RNA)
where:
Base-Base interactions energy: -177.995
where: short stacking energy: -98.343
Base-Backbone interact. energy: -0.326
local terms energy: -105.383979
where:
bonds (distance) C4'-P energy: -18.465
bonds (distance) P-C4' energy: -18.603
flat angles C4'-P-C4' energy: -22.033
flat angles P-C4'-P energy: -19.843
tors. eta vs tors. theta energy: -26.441
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 114
Temperature: 1.000000
Total energy: -282.708893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.708893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.708893 (E_RNA)
where:
Base-Base interactions energy: -194.286
where: short stacking energy: -84.512
Base-Backbone interact. energy: -0.145
local terms energy: -88.277967
where:
bonds (distance) C4'-P energy: -16.681
bonds (distance) P-C4' energy: -19.790
flat angles C4'-P-C4' energy: -20.778
flat angles P-C4'-P energy: -6.199
tors. eta vs tors. theta energy: -24.831
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 114
Temperature: 1.050000
Total energy: -264.437761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.437761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.437761 (E_RNA)
where:
Base-Base interactions energy: -170.887
where: short stacking energy: -94.048
Base-Backbone interact. energy: -0.216
local terms energy: -93.334548
where:
bonds (distance) C4'-P energy: -13.952
bonds (distance) P-C4' energy: -18.086
flat angles C4'-P-C4' energy: -22.205
flat angles P-C4'-P energy: -14.776
tors. eta vs tors. theta energy: -24.316
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 114
Temperature: 1.100000
Total energy: -266.017275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.017275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.017275 (E_RNA)
where:
Base-Base interactions energy: -180.853
where: short stacking energy: -82.371
Base-Backbone interact. energy: -1.340
local terms energy: -83.824623
where:
bonds (distance) C4'-P energy: -12.218
bonds (distance) P-C4' energy: -17.927
flat angles C4'-P-C4' energy: -15.605
flat angles P-C4'-P energy: -15.054
tors. eta vs tors. theta energy: -23.022
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 114
Temperature: 1.150000
Total energy: -254.092679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.092679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.092679 (E_RNA)
where:
Base-Base interactions energy: -164.238
where: short stacking energy: -78.712
Base-Backbone interact. energy: -0.068
local terms energy: -89.786938
where:
bonds (distance) C4'-P energy: -15.213
bonds (distance) P-C4' energy: -17.685
flat angles C4'-P-C4' energy: -22.530
flat angles P-C4'-P energy: -15.816
tors. eta vs tors. theta energy: -18.543
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 114
Temperature: 1.200000
Total energy: -238.956596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.956596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.956596 (E_RNA)
where:
Base-Base interactions energy: -160.368
where: short stacking energy: -71.221
Base-Backbone interact. energy: -1.290
local terms energy: -77.298636
where:
bonds (distance) C4'-P energy: -15.862
bonds (distance) P-C4' energy: -20.340
flat angles C4'-P-C4' energy: -15.429
flat angles P-C4'-P energy: -12.448
tors. eta vs tors. theta energy: -13.221
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 114
Temperature: 1.250000
Total energy: -208.358857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.358857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.358857 (E_RNA)
where:
Base-Base interactions energy: -121.555
where: short stacking energy: -69.140
Base-Backbone interact. energy: -0.242
local terms energy: -86.561647
where:
bonds (distance) C4'-P energy: -20.275
bonds (distance) P-C4' energy: -20.228
flat angles C4'-P-C4' energy: -18.364
flat angles P-C4'-P energy: -15.041
tors. eta vs tors. theta energy: -12.653
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 114
Temperature: 1.300000
Total energy: -118.789689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.789689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.789689 (E_RNA)
where:
Base-Base interactions energy: -51.530
where: short stacking energy: -33.158
Base-Backbone interact. energy: -0.421
local terms energy: -66.838665
where:
bonds (distance) C4'-P energy: -17.224
bonds (distance) P-C4' energy: -22.390
flat angles C4'-P-C4' energy: -18.236
flat angles P-C4'-P energy: -7.314
tors. eta vs tors. theta energy: -1.674
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 114
Temperature: 1.350000
Total energy: -112.352619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.352619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.352619 (E_RNA)
where:
Base-Base interactions energy: -55.347
where: short stacking energy: -38.908
Base-Backbone interact. energy: 0.348
local terms energy: -57.354582
where:
bonds (distance) C4'-P energy: -17.170
bonds (distance) P-C4' energy: -9.237
flat angles C4'-P-C4' energy: -14.151
flat angles P-C4'-P energy: -11.587
tors. eta vs tors. theta energy: -5.209
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 115
Temperature: 0.900000
Total energy: -341.816870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.816870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.816870 (E_RNA)
where:
Base-Base interactions energy: -241.131
where: short stacking energy: -103.786
Base-Backbone interact. energy: -0.620
local terms energy: -100.065365
where:
bonds (distance) C4'-P energy: -20.861
bonds (distance) P-C4' energy: -19.485
flat angles C4'-P-C4' energy: -20.931
flat angles P-C4'-P energy: -14.232
tors. eta vs tors. theta energy: -24.557
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 115
Temperature: 0.950000
Total energy: -291.854002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.854002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.854002 (E_RNA)
where:
Base-Base interactions energy: -199.029
where: short stacking energy: -98.282
Base-Backbone interact. energy: -0.345
local terms energy: -92.479214
where:
bonds (distance) C4'-P energy: -18.167
bonds (distance) P-C4' energy: -19.987
flat angles C4'-P-C4' energy: -17.755
flat angles P-C4'-P energy: -11.919
tors. eta vs tors. theta energy: -24.651
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 115
Temperature: 1.000000
Total energy: -271.375580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.375580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.375580 (E_RNA)
where:
Base-Base interactions energy: -179.433
where: short stacking energy: -97.626
Base-Backbone interact. energy: -0.045
local terms energy: -91.898014
where:
bonds (distance) C4'-P energy: -19.223
bonds (distance) P-C4' energy: -17.133
flat angles C4'-P-C4' energy: -20.144
flat angles P-C4'-P energy: -12.842
tors. eta vs tors. theta energy: -22.556
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 115
Temperature: 1.050000
Total energy: -268.064496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.064496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.064496 (E_RNA)
where:
Base-Base interactions energy: -179.786
where: short stacking energy: -74.996
Base-Backbone interact. energy: -1.534
local terms energy: -86.743627
where:
bonds (distance) C4'-P energy: -15.736
bonds (distance) P-C4' energy: -20.091
flat angles C4'-P-C4' energy: -21.935
flat angles P-C4'-P energy: -13.093
tors. eta vs tors. theta energy: -15.890
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 115
Temperature: 1.100000
Total energy: -250.229868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.229868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.229868 (E_RNA)
where:
Base-Base interactions energy: -171.722
where: short stacking energy: -67.793
Base-Backbone interact. energy: -0.792
local terms energy: -77.715724
where:
bonds (distance) C4'-P energy: -14.737
bonds (distance) P-C4' energy: -17.588
flat angles C4'-P-C4' energy: -16.016
flat angles P-C4'-P energy: -11.633
tors. eta vs tors. theta energy: -17.742
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 115
Temperature: 1.150000
Total energy: -241.722022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.722022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.722022 (E_RNA)
where:
Base-Base interactions energy: -154.957
where: short stacking energy: -77.182
Base-Backbone interact. energy: -0.363
local terms energy: -86.402010
where:
bonds (distance) C4'-P energy: -19.574
bonds (distance) P-C4' energy: -19.097
flat angles C4'-P-C4' energy: -21.323
flat angles P-C4'-P energy: -9.406
tors. eta vs tors. theta energy: -17.001
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 115
Temperature: 1.200000
Total energy: -236.911796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.911796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.911796 (E_RNA)
where:
Base-Base interactions energy: -165.033
where: short stacking energy: -76.759
Base-Backbone interact. energy: -0.766
local terms energy: -71.113193
where:
bonds (distance) C4'-P energy: -11.199
bonds (distance) P-C4' energy: -13.325
flat angles C4'-P-C4' energy: -17.246
flat angles P-C4'-P energy: -7.770
tors. eta vs tors. theta energy: -21.573
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 115
Temperature: 1.250000
Total energy: -217.611716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.611716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.611716 (E_RNA)
where:
Base-Base interactions energy: -139.243
where: short stacking energy: -62.776
Base-Backbone interact. energy: -0.254
local terms energy: -78.114266
where:
bonds (distance) C4'-P energy: -15.469
bonds (distance) P-C4' energy: -18.115
flat angles C4'-P-C4' energy: -16.287
flat angles P-C4'-P energy: -13.965
tors. eta vs tors. theta energy: -14.278
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 115
Temperature: 1.300000
Total energy: -128.242030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.242030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.242030 (E_RNA)
where:
Base-Base interactions energy: -49.028
where: short stacking energy: -48.315
Base-Backbone interact. energy: -0.094
local terms energy: -79.119277
where:
bonds (distance) C4'-P energy: -16.036
bonds (distance) P-C4' energy: -18.329
flat angles C4'-P-C4' energy: -22.024
flat angles P-C4'-P energy: -11.780
tors. eta vs tors. theta energy: -10.952
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 115
Temperature: 1.350000
Total energy: -89.825951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.825951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.825951 (E_RNA)
where:
Base-Base interactions energy: -27.592
where: short stacking energy: -27.592
Base-Backbone interact. energy: -0.264
local terms energy: -61.969671
where:
bonds (distance) C4'-P energy: -18.797
bonds (distance) P-C4' energy: -11.744
flat angles C4'-P-C4' energy: -19.339
flat angles P-C4'-P energy: -9.059
tors. eta vs tors. theta energy: -3.031
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 116
Temperature: 0.900000
Total energy: -328.270476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.270476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.270476 (E_RNA)
where:
Base-Base interactions energy: -235.667
where: short stacking energy: -90.238
Base-Backbone interact. energy: -0.521
local terms energy: -92.082553
where:
bonds (distance) C4'-P energy: -18.556
bonds (distance) P-C4' energy: -17.609
flat angles C4'-P-C4' energy: -18.542
flat angles P-C4'-P energy: -13.473
tors. eta vs tors. theta energy: -23.903
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 116
Temperature: 0.950000
Total energy: -288.134124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.134124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.134124 (E_RNA)
where:
Base-Base interactions energy: -188.482
where: short stacking energy: -90.848
Base-Backbone interact. energy: -0.327
local terms energy: -99.325219
where:
bonds (distance) C4'-P energy: -17.104
bonds (distance) P-C4' energy: -19.304
flat angles C4'-P-C4' energy: -22.847
flat angles P-C4'-P energy: -13.756
tors. eta vs tors. theta energy: -26.314
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 116
Temperature: 1.000000
Total energy: -281.976895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.976895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.976895 (E_RNA)
where:
Base-Base interactions energy: -197.826
where: short stacking energy: -90.185
Base-Backbone interact. energy: -2.204
local terms energy: -81.946889
where:
bonds (distance) C4'-P energy: -13.018
bonds (distance) P-C4' energy: -14.958
flat angles C4'-P-C4' energy: -22.982
flat angles P-C4'-P energy: -10.092
tors. eta vs tors. theta energy: -20.897
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 116
Temperature: 1.050000
Total energy: -265.067969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.067969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.067969 (E_RNA)
where:
Base-Base interactions energy: -190.547
where: short stacking energy: -62.464
Base-Backbone interact. energy: -1.012
local terms energy: -73.508838
where:
bonds (distance) C4'-P energy: -17.033
bonds (distance) P-C4' energy: -14.463
flat angles C4'-P-C4' energy: -14.713
flat angles P-C4'-P energy: -9.430
tors. eta vs tors. theta energy: -17.870
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 116
Temperature: 1.100000
Total energy: -238.866198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.866198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.866198 (E_RNA)
where:
Base-Base interactions energy: -148.946
where: short stacking energy: -77.231
Base-Backbone interact. energy: 0.048
local terms energy: -89.968705
where:
bonds (distance) C4'-P energy: -20.429
bonds (distance) P-C4' energy: -14.906
flat angles C4'-P-C4' energy: -18.926
flat angles P-C4'-P energy: -15.812
tors. eta vs tors. theta energy: -19.895
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 116
Temperature: 1.150000
Total energy: -237.515496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.515496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.515496 (E_RNA)
where:
Base-Base interactions energy: -151.386
where: short stacking energy: -62.789
Base-Backbone interact. energy: -0.322
local terms energy: -85.808166
where:
bonds (distance) C4'-P energy: -17.566
bonds (distance) P-C4' energy: -18.393
flat angles C4'-P-C4' energy: -16.817
flat angles P-C4'-P energy: -12.976
tors. eta vs tors. theta energy: -20.056
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 116
Temperature: 1.200000
Total energy: -222.661313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.661313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.661313 (E_RNA)
where:
Base-Base interactions energy: -151.719
where: short stacking energy: -68.908
Base-Backbone interact. energy: 1.033
local terms energy: -71.975335
where:
bonds (distance) C4'-P energy: -13.103
bonds (distance) P-C4' energy: -9.950
flat angles C4'-P-C4' energy: -21.557
flat angles P-C4'-P energy: -11.376
tors. eta vs tors. theta energy: -15.989
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 116
Temperature: 1.250000
Total energy: -218.554136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.554136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.554136 (E_RNA)
where:
Base-Base interactions energy: -141.782
where: short stacking energy: -62.387
Base-Backbone interact. energy: -0.306
local terms energy: -76.465855
where:
bonds (distance) C4'-P energy: -15.568
bonds (distance) P-C4' energy: -17.327
flat angles C4'-P-C4' energy: -17.798
flat angles P-C4'-P energy: -14.281
tors. eta vs tors. theta energy: -11.492
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 116
Temperature: 1.300000
Total energy: -106.103816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.103816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.103816 (E_RNA)
where:
Base-Base interactions energy: -49.210
where: short stacking energy: -32.385
Base-Backbone interact. energy: 2.687
local terms energy: -59.580755
where:
bonds (distance) C4'-P energy: -15.869
bonds (distance) P-C4' energy: -19.048
flat angles C4'-P-C4' energy: -18.004
flat angles P-C4'-P energy: -7.064
tors. eta vs tors. theta energy: 0.404
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 116
Temperature: 1.350000
Total energy: -112.385357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.385357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.385357 (E_RNA)
where:
Base-Base interactions energy: -38.661
where: short stacking energy: -34.354
Base-Backbone interact. energy: -0.197
local terms energy: -73.527575
where:
bonds (distance) C4'-P energy: -21.127
bonds (distance) P-C4' energy: -17.402
flat angles C4'-P-C4' energy: -16.041
flat angles P-C4'-P energy: -12.519
tors. eta vs tors. theta energy: -6.438
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 117
Temperature: 0.900000
Total energy: -335.171016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.171016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.171016 (E_RNA)
where:
Base-Base interactions energy: -234.901
where: short stacking energy: -90.431
Base-Backbone interact. energy: -0.204
local terms energy: -100.065353
where:
bonds (distance) C4'-P energy: -16.262
bonds (distance) P-C4' energy: -22.555
flat angles C4'-P-C4' energy: -22.575
flat angles P-C4'-P energy: -14.833
tors. eta vs tors. theta energy: -23.840
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 117
Temperature: 0.950000
Total energy: -282.116861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.116861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.116861 (E_RNA)
where:
Base-Base interactions energy: -192.472
where: short stacking energy: -85.028
Base-Backbone interact. energy: -0.962
local terms energy: -88.682720
where:
bonds (distance) C4'-P energy: -14.193
bonds (distance) P-C4' energy: -21.214
flat angles C4'-P-C4' energy: -20.654
flat angles P-C4'-P energy: -11.540
tors. eta vs tors. theta energy: -21.082
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 117
Temperature: 1.000000
Total energy: -274.515686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.515686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.515686 (E_RNA)
where:
Base-Base interactions energy: -182.651
where: short stacking energy: -90.462
Base-Backbone interact. energy: 1.837
local terms energy: -93.701872
where:
bonds (distance) C4'-P energy: -15.121
bonds (distance) P-C4' energy: -20.976
flat angles C4'-P-C4' energy: -22.869
flat angles P-C4'-P energy: -11.230
tors. eta vs tors. theta energy: -23.507
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 117
Temperature: 1.050000
Total energy: -290.219541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.219541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.219541 (E_RNA)
where:
Base-Base interactions energy: -194.986
where: short stacking energy: -97.517
Base-Backbone interact. energy: -0.630
local terms energy: -94.603910
where:
bonds (distance) C4'-P energy: -20.598
bonds (distance) P-C4' energy: -15.193
flat angles C4'-P-C4' energy: -21.916
flat angles P-C4'-P energy: -11.751
tors. eta vs tors. theta energy: -25.146
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 117
Temperature: 1.100000
Total energy: -261.366764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.366764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.366764 (E_RNA)
where:
Base-Base interactions energy: -177.001
where: short stacking energy: -70.049
Base-Backbone interact. energy: -1.076
local terms energy: -83.289739
where:
bonds (distance) C4'-P energy: -12.989
bonds (distance) P-C4' energy: -19.652
flat angles C4'-P-C4' energy: -19.713
flat angles P-C4'-P energy: -14.340
tors. eta vs tors. theta energy: -16.595
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 117
Temperature: 1.150000
Total energy: -251.865600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.865600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.865600 (E_RNA)
where:
Base-Base interactions energy: -162.447
where: short stacking energy: -75.202
Base-Backbone interact. energy: -0.089
local terms energy: -89.329586
where:
bonds (distance) C4'-P energy: -20.095
bonds (distance) P-C4' energy: -18.175
flat angles C4'-P-C4' energy: -17.516
flat angles P-C4'-P energy: -12.284
tors. eta vs tors. theta energy: -21.260
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 117
Temperature: 1.200000
Total energy: -186.049798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.049798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.049798 (E_RNA)
where:
Base-Base interactions energy: -116.915
where: short stacking energy: -74.475
Base-Backbone interact. energy: -0.129
local terms energy: -69.005532
where:
bonds (distance) C4'-P energy: -17.112
bonds (distance) P-C4' energy: -14.647
flat angles C4'-P-C4' energy: -12.160
flat angles P-C4'-P energy: -12.736
tors. eta vs tors. theta energy: -12.351
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 117
Temperature: 1.250000
Total energy: -222.875533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.875533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.875533 (E_RNA)
where:
Base-Base interactions energy: -143.073
where: short stacking energy: -57.335
Base-Backbone interact. energy: 1.266
local terms energy: -81.069077
where:
bonds (distance) C4'-P energy: -19.418
bonds (distance) P-C4' energy: -19.078
flat angles C4'-P-C4' energy: -17.997
flat angles P-C4'-P energy: -8.482
tors. eta vs tors. theta energy: -16.093
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 117
Temperature: 1.300000
Total energy: -106.564117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.564117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.564117 (E_RNA)
where:
Base-Base interactions energy: -43.124
where: short stacking energy: -43.124
Base-Backbone interact. energy: -0.252
local terms energy: -63.188195
where:
bonds (distance) C4'-P energy: -17.357
bonds (distance) P-C4' energy: -18.160
flat angles C4'-P-C4' energy: -14.771
flat angles P-C4'-P energy: -10.997
tors. eta vs tors. theta energy: -1.903
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 117
Temperature: 1.350000
Total energy: -97.380391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.380391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.380391 (E_RNA)
where:
Base-Base interactions energy: -35.002
where: short stacking energy: -30.782
Base-Backbone interact. energy: 1.231
local terms energy: -63.608975
where:
bonds (distance) C4'-P energy: -21.202
bonds (distance) P-C4' energy: -23.276
flat angles C4'-P-C4' energy: -10.882
flat angles P-C4'-P energy: -6.676
tors. eta vs tors. theta energy: -1.572
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 118
Temperature: 0.900000
Total energy: -331.064981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.064981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.064981 (E_RNA)
where:
Base-Base interactions energy: -236.149
where: short stacking energy: -94.224
Base-Backbone interact. energy: -0.670
local terms energy: -94.246508
where:
bonds (distance) C4'-P energy: -17.108
bonds (distance) P-C4' energy: -21.718
flat angles C4'-P-C4' energy: -16.953
flat angles P-C4'-P energy: -14.862
tors. eta vs tors. theta energy: -23.606
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 118
Temperature: 0.950000
Total energy: -294.500890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.500890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.500890 (E_RNA)
where:
Base-Base interactions energy: -200.912
where: short stacking energy: -89.304
Base-Backbone interact. energy: -1.349
local terms energy: -92.240264
where:
bonds (distance) C4'-P energy: -20.312
bonds (distance) P-C4' energy: -20.358
flat angles C4'-P-C4' energy: -14.627
flat angles P-C4'-P energy: -14.445
tors. eta vs tors. theta energy: -22.499
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 118
Temperature: 1.000000
Total energy: -295.353300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.353300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.353300 (E_RNA)
where:
Base-Base interactions energy: -199.725
where: short stacking energy: -100.256
Base-Backbone interact. energy: -0.174
local terms energy: -95.453755
where:
bonds (distance) C4'-P energy: -16.069
bonds (distance) P-C4' energy: -21.244
flat angles C4'-P-C4' energy: -23.138
flat angles P-C4'-P energy: -7.487
tors. eta vs tors. theta energy: -27.516
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 118
Temperature: 1.050000
Total energy: -282.559185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.559185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.559185 (E_RNA)
where:
Base-Base interactions energy: -182.508
where: short stacking energy: -88.483
Base-Backbone interact. energy: -0.696
local terms energy: -99.354568
where:
bonds (distance) C4'-P energy: -17.910
bonds (distance) P-C4' energy: -23.000
flat angles C4'-P-C4' energy: -21.656
flat angles P-C4'-P energy: -14.595
tors. eta vs tors. theta energy: -22.194
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 118
Temperature: 1.100000
Total energy: -263.975002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.975002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.975002 (E_RNA)
where:
Base-Base interactions energy: -171.735
where: short stacking energy: -80.016
Base-Backbone interact. energy: -0.820
local terms energy: -91.420210
where:
bonds (distance) C4'-P energy: -17.965
bonds (distance) P-C4' energy: -19.401
flat angles C4'-P-C4' energy: -18.259
flat angles P-C4'-P energy: -16.146
tors. eta vs tors. theta energy: -19.650
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 118
Temperature: 1.150000
Total energy: -224.085476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.085476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.085476 (E_RNA)
where:
Base-Base interactions energy: -145.051
where: short stacking energy: -64.466
Base-Backbone interact. energy: -0.076
local terms energy: -78.958893
where:
bonds (distance) C4'-P energy: -19.445
bonds (distance) P-C4' energy: -20.827
flat angles C4'-P-C4' energy: -16.508
flat angles P-C4'-P energy: -8.397
tors. eta vs tors. theta energy: -13.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 118
Temperature: 1.200000
Total energy: -222.495722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.495722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.495722 (E_RNA)
where:
Base-Base interactions energy: -146.795
where: short stacking energy: -69.927
Base-Backbone interact. energy: -0.206
local terms energy: -75.494510
where:
bonds (distance) C4'-P energy: -11.568
bonds (distance) P-C4' energy: -20.792
flat angles C4'-P-C4' energy: -17.831
flat angles P-C4'-P energy: -9.924
tors. eta vs tors. theta energy: -15.380
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 118
Temperature: 1.250000
Total energy: -191.586123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.586123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.586123 (E_RNA)
where:
Base-Base interactions energy: -110.720
where: short stacking energy: -56.629
Base-Backbone interact. energy: -0.185
local terms energy: -80.681655
where:
bonds (distance) C4'-P energy: -18.458
bonds (distance) P-C4' energy: -19.111
flat angles C4'-P-C4' energy: -18.218
flat angles P-C4'-P energy: -15.213
tors. eta vs tors. theta energy: -9.682
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 118
Temperature: 1.300000
Total energy: -112.905186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.905186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.905186 (E_RNA)
where:
Base-Base interactions energy: -49.765
where: short stacking energy: -44.756
Base-Backbone interact. energy: -0.199
local terms energy: -62.941210
where:
bonds (distance) C4'-P energy: -17.141
bonds (distance) P-C4' energy: -19.998
flat angles C4'-P-C4' energy: -10.226
flat angles P-C4'-P energy: -8.304
tors. eta vs tors. theta energy: -7.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 118
Temperature: 1.350000
Total energy: -114.196384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.196384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.196384 (E_RNA)
where:
Base-Base interactions energy: -42.469
where: short stacking energy: -36.578
Base-Backbone interact. energy: 0.762
local terms energy: -72.489147
where:
bonds (distance) C4'-P energy: -16.786
bonds (distance) P-C4' energy: -18.073
flat angles C4'-P-C4' energy: -16.361
flat angles P-C4'-P energy: -13.129
tors. eta vs tors. theta energy: -8.139
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 119
Temperature: 0.900000
Total energy: -339.780584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.780584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.780584 (E_RNA)
where:
Base-Base interactions energy: -239.573
where: short stacking energy: -101.932
Base-Backbone interact. energy: -0.323
local terms energy: -99.884842
where:
bonds (distance) C4'-P energy: -18.458
bonds (distance) P-C4' energy: -18.617
flat angles C4'-P-C4' energy: -19.591
flat angles P-C4'-P energy: -19.030
tors. eta vs tors. theta energy: -24.189
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 119
Temperature: 0.950000
Total energy: -288.674068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.674068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.674068 (E_RNA)
where:
Base-Base interactions energy: -189.661
where: short stacking energy: -82.841
Base-Backbone interact. energy: -0.188
local terms energy: -98.825009
where:
bonds (distance) C4'-P energy: -18.970
bonds (distance) P-C4' energy: -20.626
flat angles C4'-P-C4' energy: -17.367
flat angles P-C4'-P energy: -16.987
tors. eta vs tors. theta energy: -24.875
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 119
Temperature: 1.000000
Total energy: -271.925807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.925807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.925807 (E_RNA)
where:
Base-Base interactions energy: -182.481
where: short stacking energy: -84.872
Base-Backbone interact. energy: -0.316
local terms energy: -89.128960
where:
bonds (distance) C4'-P energy: -19.164
bonds (distance) P-C4' energy: -14.574
flat angles C4'-P-C4' energy: -19.076
flat angles P-C4'-P energy: -11.666
tors. eta vs tors. theta energy: -24.648
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 119
Temperature: 1.050000
Total energy: -272.756383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.756383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.756383 (E_RNA)
where:
Base-Base interactions energy: -192.412
where: short stacking energy: -83.973
Base-Backbone interact. energy: 6.354
local terms energy: -86.698726
where:
bonds (distance) C4'-P energy: -14.688
bonds (distance) P-C4' energy: -21.425
flat angles C4'-P-C4' energy: -22.662
flat angles P-C4'-P energy: -11.065
tors. eta vs tors. theta energy: -16.859
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 119
Temperature: 1.100000
Total energy: -280.959111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.959111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.959111 (E_RNA)
where:
Base-Base interactions energy: -199.752
where: short stacking energy: -99.380
Base-Backbone interact. energy: 0.299
local terms energy: -81.506718
where:
bonds (distance) C4'-P energy: -8.675
bonds (distance) P-C4' energy: -17.499
flat angles C4'-P-C4' energy: -17.598
flat angles P-C4'-P energy: -14.438
tors. eta vs tors. theta energy: -23.296
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 119
Temperature: 1.150000
Total energy: -245.044838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.044838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.044838 (E_RNA)
where:
Base-Base interactions energy: -159.471
where: short stacking energy: -86.904
Base-Backbone interact. energy: 0.599
local terms energy: -86.173442
where:
bonds (distance) C4'-P energy: -18.963
bonds (distance) P-C4' energy: -16.042
flat angles C4'-P-C4' energy: -19.885
flat angles P-C4'-P energy: -12.610
tors. eta vs tors. theta energy: -18.673
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 119
Temperature: 1.200000
Total energy: -237.257592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.257592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.257592 (E_RNA)
where:
Base-Base interactions energy: -153.602
where: short stacking energy: -66.257
Base-Backbone interact. energy: -0.723
local terms energy: -82.932345
where:
bonds (distance) C4'-P energy: -13.596
bonds (distance) P-C4' energy: -20.978
flat angles C4'-P-C4' energy: -19.428
flat angles P-C4'-P energy: -12.614
tors. eta vs tors. theta energy: -16.316
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 119
Temperature: 1.250000
Total energy: -176.907526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.907526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.907526 (E_RNA)
where:
Base-Base interactions energy: -99.168
where: short stacking energy: -52.197
Base-Backbone interact. energy: -0.030
local terms energy: -77.709988
where:
bonds (distance) C4'-P energy: -20.241
bonds (distance) P-C4' energy: -19.626
flat angles C4'-P-C4' energy: -17.955
flat angles P-C4'-P energy: -14.403
tors. eta vs tors. theta energy: -5.486
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 119
Temperature: 1.300000
Total energy: -107.445094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.445094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.445094 (E_RNA)
where:
Base-Base interactions energy: -42.222
where: short stacking energy: -42.222
Base-Backbone interact. energy: -0.364
local terms energy: -64.858755
where:
bonds (distance) C4'-P energy: -12.037
bonds (distance) P-C4' energy: -18.231
flat angles C4'-P-C4' energy: -20.842
flat angles P-C4'-P energy: -11.519
tors. eta vs tors. theta energy: -2.230
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 119
Temperature: 1.350000
Total energy: -107.799736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.799736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.799736 (E_RNA)
where:
Base-Base interactions energy: -43.214
where: short stacking energy: -34.159
Base-Backbone interact. energy: -0.092
local terms energy: -64.492961
where:
bonds (distance) C4'-P energy: -20.941
bonds (distance) P-C4' energy: -18.921
flat angles C4'-P-C4' energy: -13.694
flat angles P-C4'-P energy: -8.487
tors. eta vs tors. theta energy: -2.450
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 120
Temperature: 0.900000
Total energy: -294.152496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.152496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.152496 (E_RNA)
where:
Base-Base interactions energy: -195.157
where: short stacking energy: -90.502
Base-Backbone interact. energy: 0.714
local terms energy: -99.708742
where:
bonds (distance) C4'-P energy: -21.318
bonds (distance) P-C4' energy: -20.694
flat angles C4'-P-C4' energy: -21.574
flat angles P-C4'-P energy: -17.039
tors. eta vs tors. theta energy: -19.083
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 120
Temperature: 0.950000
Total energy: -328.304586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.304586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.304586 (E_RNA)
where:
Base-Base interactions energy: -239.859
where: short stacking energy: -95.970
Base-Backbone interact. energy: -1.116
local terms energy: -87.330287
where:
bonds (distance) C4'-P energy: -17.038
bonds (distance) P-C4' energy: -20.633
flat angles C4'-P-C4' energy: -17.256
flat angles P-C4'-P energy: -10.025
tors. eta vs tors. theta energy: -22.378
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 120
Temperature: 1.000000
Total energy: -293.446002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.446002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.446002 (E_RNA)
where:
Base-Base interactions energy: -198.082
where: short stacking energy: -87.991
Base-Backbone interact. energy: -0.438
local terms energy: -94.925280
where:
bonds (distance) C4'-P energy: -19.710
bonds (distance) P-C4' energy: -20.222
flat angles C4'-P-C4' energy: -17.900
flat angles P-C4'-P energy: -18.061
tors. eta vs tors. theta energy: -19.032
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 120
Temperature: 1.050000
Total energy: -273.526859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.526859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.526859 (E_RNA)
where:
Base-Base interactions energy: -181.664
where: short stacking energy: -80.562
Base-Backbone interact. energy: -0.139
local terms energy: -91.723847
where:
bonds (distance) C4'-P energy: -13.899
bonds (distance) P-C4' energy: -21.461
flat angles C4'-P-C4' energy: -22.364
flat angles P-C4'-P energy: -10.746
tors. eta vs tors. theta energy: -23.254
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 120
Temperature: 1.100000
Total energy: -261.333026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.333026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.333026 (E_RNA)
where:
Base-Base interactions energy: -177.606
where: short stacking energy: -92.789
Base-Backbone interact. energy: -0.076
local terms energy: -83.650511
where:
bonds (distance) C4'-P energy: -11.448
bonds (distance) P-C4' energy: -14.975
flat angles C4'-P-C4' energy: -17.731
flat angles P-C4'-P energy: -16.052
tors. eta vs tors. theta energy: -23.444
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 120
Temperature: 1.150000
Total energy: -239.057656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.057656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.057656 (E_RNA)
where:
Base-Base interactions energy: -160.260
where: short stacking energy: -72.609
Base-Backbone interact. energy: -0.241
local terms energy: -78.557258
where:
bonds (distance) C4'-P energy: -14.041
bonds (distance) P-C4' energy: -18.863
flat angles C4'-P-C4' energy: -15.546
flat angles P-C4'-P energy: -11.319
tors. eta vs tors. theta energy: -18.788
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 120
Temperature: 1.200000
Total energy: -229.317260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.317260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.317260 (E_RNA)
where:
Base-Base interactions energy: -159.699
where: short stacking energy: -58.676
Base-Backbone interact. energy: -1.888
local terms energy: -67.730142
where:
bonds (distance) C4'-P energy: -15.151
bonds (distance) P-C4' energy: -18.392
flat angles C4'-P-C4' energy: -17.569
flat angles P-C4'-P energy: -6.401
tors. eta vs tors. theta energy: -10.217
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 120
Temperature: 1.250000
Total energy: -199.658251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.658251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.658251 (E_RNA)
where:
Base-Base interactions energy: -144.380
where: short stacking energy: -58.960
Base-Backbone interact. energy: -0.542
local terms energy: -54.736676
where:
bonds (distance) C4'-P energy: -11.346
bonds (distance) P-C4' energy: -11.998
flat angles C4'-P-C4' energy: -16.922
flat angles P-C4'-P energy: -9.565
tors. eta vs tors. theta energy: -4.906
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 120
Temperature: 1.300000
Total energy: -125.669962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.669962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.669962 (E_RNA)
where:
Base-Base interactions energy: -60.010
where: short stacking energy: -37.022
Base-Backbone interact. energy: -0.734
local terms energy: -64.926488
where:
bonds (distance) C4'-P energy: -19.042
bonds (distance) P-C4' energy: -15.715
flat angles C4'-P-C4' energy: -14.298
flat angles P-C4'-P energy: -13.410
tors. eta vs tors. theta energy: -2.462
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 120
Temperature: 1.350000
Total energy: -130.342539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.342539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.342539 (E_RNA)
where:
Base-Base interactions energy: -66.080
where: short stacking energy: -36.852
Base-Backbone interact. energy: -0.111
local terms energy: -64.151563
where:
bonds (distance) C4'-P energy: -21.703
bonds (distance) P-C4' energy: -17.120
flat angles C4'-P-C4' energy: -13.193
flat angles P-C4'-P energy: -8.076
tors. eta vs tors. theta energy: -4.060
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 121
Temperature: 0.900000
Total energy: -297.908059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.908059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.908059 (E_RNA)
where:
Base-Base interactions energy: -198.503
where: short stacking energy: -85.649
Base-Backbone interact. energy: -0.782
local terms energy: -98.622803
where:
bonds (distance) C4'-P energy: -23.061
bonds (distance) P-C4' energy: -19.068
flat angles C4'-P-C4' energy: -18.450
flat angles P-C4'-P energy: -14.877
tors. eta vs tors. theta energy: -23.167
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 121
Temperature: 0.950000
Total energy: -328.132696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.132696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.132696 (E_RNA)
where:
Base-Base interactions energy: -234.924
where: short stacking energy: -101.132
Base-Backbone interact. energy: -1.616
local terms energy: -91.592481
where:
bonds (distance) C4'-P energy: -12.038
bonds (distance) P-C4' energy: -20.468
flat angles C4'-P-C4' energy: -21.013
flat angles P-C4'-P energy: -11.883
tors. eta vs tors. theta energy: -26.190
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 121
Temperature: 1.000000
Total energy: -285.394003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.394003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.394003 (E_RNA)
where:
Base-Base interactions energy: -203.605
where: short stacking energy: -72.187
Base-Backbone interact. energy: 0.609
local terms energy: -82.398142
where:
bonds (distance) C4'-P energy: -18.796
bonds (distance) P-C4' energy: -19.320
flat angles C4'-P-C4' energy: -17.368
flat angles P-C4'-P energy: -13.780
tors. eta vs tors. theta energy: -13.134
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 121
Temperature: 1.050000
Total energy: -266.801292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.801292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.801292 (E_RNA)
where:
Base-Base interactions energy: -180.724
where: short stacking energy: -79.451
Base-Backbone interact. energy: -0.196
local terms energy: -85.881274
where:
bonds (distance) C4'-P energy: -20.510
bonds (distance) P-C4' energy: -21.150
flat angles C4'-P-C4' energy: -17.013
flat angles P-C4'-P energy: -12.637
tors. eta vs tors. theta energy: -14.571
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 121
Temperature: 1.100000
Total energy: -268.187624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.187624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.187624 (E_RNA)
where:
Base-Base interactions energy: -183.339
where: short stacking energy: -78.835
Base-Backbone interact. energy: -0.029
local terms energy: -84.819859
where:
bonds (distance) C4'-P energy: -17.603
bonds (distance) P-C4' energy: -14.509
flat angles C4'-P-C4' energy: -20.073
flat angles P-C4'-P energy: -13.300
tors. eta vs tors. theta energy: -19.335
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 121
Temperature: 1.150000
Total energy: -246.150075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.150075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.150075 (E_RNA)
where:
Base-Base interactions energy: -167.131
where: short stacking energy: -76.388
Base-Backbone interact. energy: -1.291
local terms energy: -77.728209
where:
bonds (distance) C4'-P energy: -14.772
bonds (distance) P-C4' energy: -15.164
flat angles C4'-P-C4' energy: -20.229
flat angles P-C4'-P energy: -11.807
tors. eta vs tors. theta energy: -15.756
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 121
Temperature: 1.200000
Total energy: -220.650757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.650757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.650757 (E_RNA)
where:
Base-Base interactions energy: -131.476
where: short stacking energy: -50.707
Base-Backbone interact. energy: -0.373
local terms energy: -88.802507
where:
bonds (distance) C4'-P energy: -18.197
bonds (distance) P-C4' energy: -22.237
flat angles C4'-P-C4' energy: -19.898
flat angles P-C4'-P energy: -14.551
tors. eta vs tors. theta energy: -13.919
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 121
Temperature: 1.250000
Total energy: -209.595851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.595851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.595851 (E_RNA)
where:
Base-Base interactions energy: -116.411
where: short stacking energy: -52.306
Base-Backbone interact. energy: -0.141
local terms energy: -93.043778
where:
bonds (distance) C4'-P energy: -20.726
bonds (distance) P-C4' energy: -21.411
flat angles C4'-P-C4' energy: -21.151
flat angles P-C4'-P energy: -12.733
tors. eta vs tors. theta energy: -17.023
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 121
Temperature: 1.300000
Total energy: -121.188032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.188032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.188032 (E_RNA)
where:
Base-Base interactions energy: -48.263
where: short stacking energy: -40.699
Base-Backbone interact. energy: -0.272
local terms energy: -72.653377
where:
bonds (distance) C4'-P energy: -14.714
bonds (distance) P-C4' energy: -16.319
flat angles C4'-P-C4' energy: -19.831
flat angles P-C4'-P energy: -13.528
tors. eta vs tors. theta energy: -8.261
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 121
Temperature: 1.350000
Total energy: -97.825909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.825909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.825909 (E_RNA)
where:
Base-Base interactions energy: -45.708
where: short stacking energy: -24.769
Base-Backbone interact. energy: 1.334
local terms energy: -53.451735
where:
bonds (distance) C4'-P energy: -13.535
bonds (distance) P-C4' energy: -20.054
flat angles C4'-P-C4' energy: -12.010
flat angles P-C4'-P energy: -8.410
tors. eta vs tors. theta energy: 0.557
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 122
Temperature: 0.900000
Total energy: -329.612085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.612085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.612085 (E_RNA)
where:
Base-Base interactions energy: -224.101
where: short stacking energy: -92.094
Base-Backbone interact. energy: -0.730
local terms energy: -104.781991
where:
bonds (distance) C4'-P energy: -21.207
bonds (distance) P-C4' energy: -23.926
flat angles C4'-P-C4' energy: -19.938
flat angles P-C4'-P energy: -14.917
tors. eta vs tors. theta energy: -24.794
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 122
Temperature: 0.950000
Total energy: -291.035895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.035895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.035895 (E_RNA)
where:
Base-Base interactions energy: -196.175
where: short stacking energy: -81.286
Base-Backbone interact. energy: -0.536
local terms energy: -94.325013
where:
bonds (distance) C4'-P energy: -17.368
bonds (distance) P-C4' energy: -21.321
flat angles C4'-P-C4' energy: -18.061
flat angles P-C4'-P energy: -16.163
tors. eta vs tors. theta energy: -21.412
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 122
Temperature: 1.000000
Total energy: -283.721237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.721237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.721237 (E_RNA)
where:
Base-Base interactions energy: -202.910
where: short stacking energy: -69.508
Base-Backbone interact. energy: -0.583
local terms energy: -80.228065
where:
bonds (distance) C4'-P energy: -13.974
bonds (distance) P-C4' energy: -16.919
flat angles C4'-P-C4' energy: -19.160
flat angles P-C4'-P energy: -15.526
tors. eta vs tors. theta energy: -14.650
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 122
Temperature: 1.050000
Total energy: -270.039669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.039669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.039669 (E_RNA)
where:
Base-Base interactions energy: -192.049
where: short stacking energy: -74.862
Base-Backbone interact. energy: -0.136
local terms energy: -77.855346
where:
bonds (distance) C4'-P energy: -13.175
bonds (distance) P-C4' energy: -18.150
flat angles C4'-P-C4' energy: -20.124
flat angles P-C4'-P energy: -9.911
tors. eta vs tors. theta energy: -16.496
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 122
Temperature: 1.100000
Total energy: -268.448868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.448868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.448868 (E_RNA)
where:
Base-Base interactions energy: -184.684
where: short stacking energy: -82.338
Base-Backbone interact. energy: -0.076
local terms energy: -83.689771
where:
bonds (distance) C4'-P energy: -13.374
bonds (distance) P-C4' energy: -16.038
flat angles C4'-P-C4' energy: -17.256
flat angles P-C4'-P energy: -10.973
tors. eta vs tors. theta energy: -26.049
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 122
Temperature: 1.150000
Total energy: -255.112645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.112645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.112645 (E_RNA)
where:
Base-Base interactions energy: -166.162
where: short stacking energy: -67.087
Base-Backbone interact. energy: 0.376
local terms energy: -89.325807
where:
bonds (distance) C4'-P energy: -19.127
bonds (distance) P-C4' energy: -19.204
flat angles C4'-P-C4' energy: -19.976
flat angles P-C4'-P energy: -15.970
tors. eta vs tors. theta energy: -15.049
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 122
Temperature: 1.200000
Total energy: -213.462556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.462556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.462556 (E_RNA)
where:
Base-Base interactions energy: -142.253
where: short stacking energy: -63.364
Base-Backbone interact. energy: -0.161
local terms energy: -71.048405
where:
bonds (distance) C4'-P energy: -12.339
bonds (distance) P-C4' energy: -22.181
flat angles C4'-P-C4' energy: -13.377
flat angles P-C4'-P energy: -9.052
tors. eta vs tors. theta energy: -14.100
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 122
Temperature: 1.250000
Total energy: -216.963583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.963583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.963583 (E_RNA)
where:
Base-Base interactions energy: -140.201
where: short stacking energy: -63.273
Base-Backbone interact. energy: -0.314
local terms energy: -76.448752
where:
bonds (distance) C4'-P energy: -12.210
bonds (distance) P-C4' energy: -18.696
flat angles C4'-P-C4' energy: -17.973
flat angles P-C4'-P energy: -15.332
tors. eta vs tors. theta energy: -12.237
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 122
Temperature: 1.300000
Total energy: -97.831505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.831505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.831505 (E_RNA)
where:
Base-Base interactions energy: -40.562
where: short stacking energy: -34.915
Base-Backbone interact. energy: -0.196
local terms energy: -57.072860
where:
bonds (distance) C4'-P energy: -20.279
bonds (distance) P-C4' energy: -12.891
flat angles C4'-P-C4' energy: -13.981
flat angles P-C4'-P energy: -9.670
tors. eta vs tors. theta energy: -0.252
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 122
Temperature: 1.350000
Total energy: -102.558958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.558958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.558958 (E_RNA)
where:
Base-Base interactions energy: -36.430
where: short stacking energy: -34.590
Base-Backbone interact. energy: -0.565
local terms energy: -65.563792
where:
bonds (distance) C4'-P energy: -21.050
bonds (distance) P-C4' energy: -17.119
flat angles C4'-P-C4' energy: -17.452
flat angles P-C4'-P energy: -8.898
tors. eta vs tors. theta energy: -1.045
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 123
Temperature: 0.900000
Total energy: -338.300413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.300413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.300413 (E_RNA)
where:
Base-Base interactions energy: -245.672
where: short stacking energy: -98.537
Base-Backbone interact. energy: -0.156
local terms energy: -92.472399
where:
bonds (distance) C4'-P energy: -18.706
bonds (distance) P-C4' energy: -21.837
flat angles C4'-P-C4' energy: -15.603
flat angles P-C4'-P energy: -14.609
tors. eta vs tors. theta energy: -21.718
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 123
Temperature: 0.950000
Total energy: -285.685305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.685305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.685305 (E_RNA)
where:
Base-Base interactions energy: -195.251
where: short stacking energy: -73.046
Base-Backbone interact. energy: -0.301
local terms energy: -90.134178
where:
bonds (distance) C4'-P energy: -20.073
bonds (distance) P-C4' energy: -23.558
flat angles C4'-P-C4' energy: -18.180
flat angles P-C4'-P energy: -10.668
tors. eta vs tors. theta energy: -17.655
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 123
Temperature: 1.000000
Total energy: -292.310501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.310501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.310501 (E_RNA)
where:
Base-Base interactions energy: -194.405
where: short stacking energy: -86.786
Base-Backbone interact. energy: -0.489
local terms energy: -97.415763
where:
bonds (distance) C4'-P energy: -20.816
bonds (distance) P-C4' energy: -21.461
flat angles C4'-P-C4' energy: -21.473
flat angles P-C4'-P energy: -14.165
tors. eta vs tors. theta energy: -19.501
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 123
Temperature: 1.050000
Total energy: -268.139056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.139056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.139056 (E_RNA)
where:
Base-Base interactions energy: -184.268
where: short stacking energy: -83.778
Base-Backbone interact. energy: -1.346
local terms energy: -82.524271
where:
bonds (distance) C4'-P energy: -17.240
bonds (distance) P-C4' energy: -10.835
flat angles C4'-P-C4' energy: -19.941
flat angles P-C4'-P energy: -13.767
tors. eta vs tors. theta energy: -20.742
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 123
Temperature: 1.100000
Total energy: -252.830156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.830156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.830156 (E_RNA)
where:
Base-Base interactions energy: -171.166
where: short stacking energy: -72.027
Base-Backbone interact. energy: -0.451
local terms energy: -81.212913
where:
bonds (distance) C4'-P energy: -16.051
bonds (distance) P-C4' energy: -18.760
flat angles C4'-P-C4' energy: -19.434
flat angles P-C4'-P energy: -10.251
tors. eta vs tors. theta energy: -16.717
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 123
Temperature: 1.150000
Total energy: -224.838595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.838595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.838595 (E_RNA)
where:
Base-Base interactions energy: -144.169
where: short stacking energy: -66.543
Base-Backbone interact. energy: -0.287
local terms energy: -80.382721
where:
bonds (distance) C4'-P energy: -17.914
bonds (distance) P-C4' energy: -21.007
flat angles C4'-P-C4' energy: -15.611
flat angles P-C4'-P energy: -13.605
tors. eta vs tors. theta energy: -12.245
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 123
Temperature: 1.200000
Total energy: -241.675246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.675246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.675246 (E_RNA)
where:
Base-Base interactions energy: -155.663
where: short stacking energy: -73.179
Base-Backbone interact. energy: -0.692
local terms energy: -85.319550
where:
bonds (distance) C4'-P energy: -19.178
bonds (distance) P-C4' energy: -17.415
flat angles C4'-P-C4' energy: -17.234
flat angles P-C4'-P energy: -14.357
tors. eta vs tors. theta energy: -17.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 123
Temperature: 1.250000
Total energy: -236.582990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.582990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.582990 (E_RNA)
where:
Base-Base interactions energy: -158.505
where: short stacking energy: -80.383
Base-Backbone interact. energy: -0.344
local terms energy: -77.734604
where:
bonds (distance) C4'-P energy: -16.867
bonds (distance) P-C4' energy: -9.772
flat angles C4'-P-C4' energy: -17.882
flat angles P-C4'-P energy: -13.456
tors. eta vs tors. theta energy: -19.757
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 123
Temperature: 1.300000
Total energy: -101.211866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.211866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.211866 (E_RNA)
where:
Base-Base interactions energy: -32.398
where: short stacking energy: -30.528
Base-Backbone interact. energy: 0.267
local terms energy: -69.081733
where:
bonds (distance) C4'-P energy: -17.112
bonds (distance) P-C4' energy: -22.455
flat angles C4'-P-C4' energy: -17.972
flat angles P-C4'-P energy: -14.537
tors. eta vs tors. theta energy: 2.994
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 123
Temperature: 1.350000
Total energy: -120.043707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.043707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.043707 (E_RNA)
where:
Base-Base interactions energy: -58.487
where: short stacking energy: -58.151
Base-Backbone interact. energy: -0.519
local terms energy: -61.037295
where:
bonds (distance) C4'-P energy: -14.772
bonds (distance) P-C4' energy: -9.673
flat angles C4'-P-C4' energy: -16.265
flat angles P-C4'-P energy: -9.572
tors. eta vs tors. theta energy: -10.755
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 124
Temperature: 0.900000
Total energy: -334.868432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.868432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.868432 (E_RNA)
where:
Base-Base interactions energy: -241.548
where: short stacking energy: -98.129
Base-Backbone interact. energy: -0.633
local terms energy: -92.688000
where:
bonds (distance) C4'-P energy: -22.141
bonds (distance) P-C4' energy: -20.338
flat angles C4'-P-C4' energy: -14.159
flat angles P-C4'-P energy: -13.647
tors. eta vs tors. theta energy: -22.403
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 124
Temperature: 0.950000
Total energy: -287.598944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.598944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.598944 (E_RNA)
where:
Base-Base interactions energy: -198.230
where: short stacking energy: -83.175
Base-Backbone interact. energy: 2.843
local terms energy: -92.211648
where:
bonds (distance) C4'-P energy: -19.046
bonds (distance) P-C4' energy: -21.365
flat angles C4'-P-C4' energy: -17.487
flat angles P-C4'-P energy: -14.083
tors. eta vs tors. theta energy: -20.231
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 124
Temperature: 1.000000
Total energy: -295.822151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.822151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.822151 (E_RNA)
where:
Base-Base interactions energy: -196.299
where: short stacking energy: -87.582
Base-Backbone interact. energy: -2.819
local terms energy: -96.704125
where:
bonds (distance) C4'-P energy: -19.591
bonds (distance) P-C4' energy: -17.480
flat angles C4'-P-C4' energy: -20.608
flat angles P-C4'-P energy: -12.259
tors. eta vs tors. theta energy: -26.765
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 124
Temperature: 1.050000
Total energy: -273.170275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.170275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.170275 (E_RNA)
where:
Base-Base interactions energy: -181.599
where: short stacking energy: -104.801
Base-Backbone interact. energy: -0.543
local terms energy: -91.028470
where:
bonds (distance) C4'-P energy: -13.419
bonds (distance) P-C4' energy: -16.081
flat angles C4'-P-C4' energy: -19.388
flat angles P-C4'-P energy: -12.987
tors. eta vs tors. theta energy: -29.154
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 124
Temperature: 1.100000
Total energy: -268.412106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.412106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.412106 (E_RNA)
where:
Base-Base interactions energy: -179.204
where: short stacking energy: -79.901
Base-Backbone interact. energy: -0.667
local terms energy: -88.540801
where:
bonds (distance) C4'-P energy: -20.031
bonds (distance) P-C4' energy: -16.475
flat angles C4'-P-C4' energy: -18.262
flat angles P-C4'-P energy: -11.704
tors. eta vs tors. theta energy: -22.069
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 124
Temperature: 1.150000
Total energy: -232.377262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.377262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.377262 (E_RNA)
where:
Base-Base interactions energy: -149.114
where: short stacking energy: -75.296
Base-Backbone interact. energy: 0.958
local terms energy: -84.220972
where:
bonds (distance) C4'-P energy: -15.662
bonds (distance) P-C4' energy: -18.057
flat angles C4'-P-C4' energy: -20.315
flat angles P-C4'-P energy: -11.741
tors. eta vs tors. theta energy: -18.446
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 124
Temperature: 1.200000
Total energy: -237.626851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.626851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.626851 (E_RNA)
where:
Base-Base interactions energy: -148.770
where: short stacking energy: -75.186
Base-Backbone interact. energy: -0.637
local terms energy: -88.220316
where:
bonds (distance) C4'-P energy: -18.632
bonds (distance) P-C4' energy: -20.495
flat angles C4'-P-C4' energy: -18.366
flat angles P-C4'-P energy: -13.670
tors. eta vs tors. theta energy: -17.058
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 124
Temperature: 1.250000
Total energy: -214.050515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.050515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.050515 (E_RNA)
where:
Base-Base interactions energy: -144.115
where: short stacking energy: -64.776
Base-Backbone interact. energy: -0.275
local terms energy: -69.661052
where:
bonds (distance) C4'-P energy: -13.622
bonds (distance) P-C4' energy: -21.514
flat angles C4'-P-C4' energy: -12.696
flat angles P-C4'-P energy: -6.313
tors. eta vs tors. theta energy: -15.516
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 124
Temperature: 1.300000
Total energy: -134.120495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.120495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.120495 (E_RNA)
where:
Base-Base interactions energy: -68.908
where: short stacking energy: -52.730
Base-Backbone interact. energy: -0.282
local terms energy: -64.930481
where:
bonds (distance) C4'-P energy: -14.301
bonds (distance) P-C4' energy: -20.675
flat angles C4'-P-C4' energy: -10.848
flat angles P-C4'-P energy: -10.753
tors. eta vs tors. theta energy: -8.353
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 124
Temperature: 1.350000
Total energy: -159.124162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.124162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.124162 (E_RNA)
where:
Base-Base interactions energy: -96.332
where: short stacking energy: -45.360
Base-Backbone interact. energy: 1.047
local terms energy: -63.839137
where:
bonds (distance) C4'-P energy: -15.439
bonds (distance) P-C4' energy: -15.339
flat angles C4'-P-C4' energy: -17.590
flat angles P-C4'-P energy: -13.448
tors. eta vs tors. theta energy: -2.023
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 125
Temperature: 0.900000
Total energy: -339.355335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.355335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.355335 (E_RNA)
where:
Base-Base interactions energy: -241.691
where: short stacking energy: -102.126
Base-Backbone interact. energy: -0.511
local terms energy: -97.153439
where:
bonds (distance) C4'-P energy: -19.840
bonds (distance) P-C4' energy: -20.221
flat angles C4'-P-C4' energy: -17.988
flat angles P-C4'-P energy: -13.468
tors. eta vs tors. theta energy: -25.637
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 125
Temperature: 0.950000
Total energy: -294.546045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.546045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.546045 (E_RNA)
where:
Base-Base interactions energy: -196.566
where: short stacking energy: -67.109
Base-Backbone interact. energy: -0.270
local terms energy: -97.711014
where:
bonds (distance) C4'-P energy: -22.137
bonds (distance) P-C4' energy: -23.108
flat angles C4'-P-C4' energy: -20.568
flat angles P-C4'-P energy: -12.575
tors. eta vs tors. theta energy: -19.324
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 125
Temperature: 1.000000
Total energy: -275.165202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.165202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.165202 (E_RNA)
where:
Base-Base interactions energy: -186.855
where: short stacking energy: -83.234
Base-Backbone interact. energy: -0.382
local terms energy: -87.928018
where:
bonds (distance) C4'-P energy: -17.696
bonds (distance) P-C4' energy: -17.409
flat angles C4'-P-C4' energy: -21.850
flat angles P-C4'-P energy: -11.740
tors. eta vs tors. theta energy: -19.233
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 125
Temperature: 1.050000
Total energy: -273.893553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.893553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.893553 (E_RNA)
where:
Base-Base interactions energy: -181.722
where: short stacking energy: -86.277
Base-Backbone interact. energy: -0.857
local terms energy: -91.314683
where:
bonds (distance) C4'-P energy: -19.484
bonds (distance) P-C4' energy: -16.382
flat angles C4'-P-C4' energy: -18.297
flat angles P-C4'-P energy: -13.924
tors. eta vs tors. theta energy: -23.228
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 125
Temperature: 1.100000
Total energy: -253.734232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.734232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.734232 (E_RNA)
where:
Base-Base interactions energy: -164.382
where: short stacking energy: -74.046
Base-Backbone interact. energy: -0.213
local terms energy: -89.138644
where:
bonds (distance) C4'-P energy: -18.414
bonds (distance) P-C4' energy: -18.709
flat angles C4'-P-C4' energy: -19.334
flat angles P-C4'-P energy: -16.921
tors. eta vs tors. theta energy: -15.760
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 125
Temperature: 1.150000
Total energy: -237.502949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.502949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.502949 (E_RNA)
where:
Base-Base interactions energy: -148.697
where: short stacking energy: -77.703
Base-Backbone interact. energy: 0.544
local terms energy: -89.349383
where:
bonds (distance) C4'-P energy: -17.323
bonds (distance) P-C4' energy: -17.719
flat angles C4'-P-C4' energy: -21.186
flat angles P-C4'-P energy: -13.836
tors. eta vs tors. theta energy: -19.285
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 125
Temperature: 1.200000
Total energy: -220.107202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.107202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.107202 (E_RNA)
where:
Base-Base interactions energy: -142.411
where: short stacking energy: -71.440
Base-Backbone interact. energy: 4.783
local terms energy: -82.478714
where:
bonds (distance) C4'-P energy: -18.303
bonds (distance) P-C4' energy: -21.053
flat angles C4'-P-C4' energy: -16.272
flat angles P-C4'-P energy: -13.584
tors. eta vs tors. theta energy: -13.267
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 125
Temperature: 1.250000
Total energy: -187.997748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.997748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.997748 (E_RNA)
where:
Base-Base interactions energy: -114.340
where: short stacking energy: -53.124
Base-Backbone interact. energy: -0.325
local terms energy: -73.333577
where:
bonds (distance) C4'-P energy: -17.312
bonds (distance) P-C4' energy: -15.738
flat angles C4'-P-C4' energy: -18.443
flat angles P-C4'-P energy: -13.270
tors. eta vs tors. theta energy: -8.571
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 125
Temperature: 1.300000
Total energy: -160.651602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.651602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.651602 (E_RNA)
where:
Base-Base interactions energy: -81.325
where: short stacking energy: -49.806
Base-Backbone interact. energy: -0.765
local terms energy: -78.561544
where:
bonds (distance) C4'-P energy: -20.403
bonds (distance) P-C4' energy: -20.812
flat angles C4'-P-C4' energy: -15.833
flat angles P-C4'-P energy: -10.687
tors. eta vs tors. theta energy: -10.827
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 125
Temperature: 1.350000
Total energy: -178.502780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.502780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.502780 (E_RNA)
where:
Base-Base interactions energy: -112.473
where: short stacking energy: -46.711
Base-Backbone interact. energy: -0.276
local terms energy: -65.753968
where:
bonds (distance) C4'-P energy: -15.272
bonds (distance) P-C4' energy: -18.442
flat angles C4'-P-C4' energy: -17.254
flat angles P-C4'-P energy: -8.825
tors. eta vs tors. theta energy: -5.960
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 126
Temperature: 0.900000
Total energy: -326.736957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.736957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.736957 (E_RNA)
where:
Base-Base interactions energy: -237.337
where: short stacking energy: -92.509
Base-Backbone interact. energy: -0.171
local terms energy: -89.228675
where:
bonds (distance) C4'-P energy: -17.123
bonds (distance) P-C4' energy: -16.176
flat angles C4'-P-C4' energy: -16.856
flat angles P-C4'-P energy: -14.223
tors. eta vs tors. theta energy: -24.851
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 126
Temperature: 0.950000
Total energy: -297.401358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.401358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.401358 (E_RNA)
where:
Base-Base interactions energy: -203.639
where: short stacking energy: -81.265
Base-Backbone interact. energy: -0.258
local terms energy: -93.503735
where:
bonds (distance) C4'-P energy: -19.868
bonds (distance) P-C4' energy: -16.014
flat angles C4'-P-C4' energy: -24.317
flat angles P-C4'-P energy: -11.587
tors. eta vs tors. theta energy: -21.717
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 126
Temperature: 1.000000
Total energy: -272.438153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.438153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.438153 (E_RNA)
where:
Base-Base interactions energy: -177.722
where: short stacking energy: -76.081
Base-Backbone interact. energy: -0.343
local terms energy: -94.373238
where:
bonds (distance) C4'-P energy: -20.668
bonds (distance) P-C4' energy: -21.642
flat angles C4'-P-C4' energy: -19.586
flat angles P-C4'-P energy: -13.956
tors. eta vs tors. theta energy: -18.521
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 126
Temperature: 1.050000
Total energy: -275.704529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.704529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.704529 (E_RNA)
where:
Base-Base interactions energy: -185.611
where: short stacking energy: -72.927
Base-Backbone interact. energy: -0.454
local terms energy: -89.639963
where:
bonds (distance) C4'-P energy: -19.257
bonds (distance) P-C4' energy: -19.058
flat angles C4'-P-C4' energy: -21.114
flat angles P-C4'-P energy: -15.037
tors. eta vs tors. theta energy: -15.174
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 126
Temperature: 1.100000
Total energy: -264.762103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.762103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.762103 (E_RNA)
where:
Base-Base interactions energy: -177.875
where: short stacking energy: -81.847
Base-Backbone interact. energy: -0.112
local terms energy: -86.774749
where:
bonds (distance) C4'-P energy: -15.697
bonds (distance) P-C4' energy: -20.664
flat angles C4'-P-C4' energy: -18.323
flat angles P-C4'-P energy: -12.329
tors. eta vs tors. theta energy: -19.762
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 126
Temperature: 1.150000
Total energy: -242.303791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.303791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.303791 (E_RNA)
where:
Base-Base interactions energy: -165.055
where: short stacking energy: -68.926
Base-Backbone interact. energy: -0.735
local terms energy: -76.514172
where:
bonds (distance) C4'-P energy: -16.922
bonds (distance) P-C4' energy: -12.362
flat angles C4'-P-C4' energy: -14.938
flat angles P-C4'-P energy: -15.695
tors. eta vs tors. theta energy: -16.598
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 126
Temperature: 1.200000
Total energy: -232.021163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.021163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.021163 (E_RNA)
where:
Base-Base interactions energy: -143.640
where: short stacking energy: -61.492
Base-Backbone interact. energy: -0.954
local terms energy: -87.426822
where:
bonds (distance) C4'-P energy: -18.220
bonds (distance) P-C4' energy: -20.786
flat angles C4'-P-C4' energy: -21.571
flat angles P-C4'-P energy: -13.289
tors. eta vs tors. theta energy: -13.561
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 126
Temperature: 1.250000
Total energy: -223.713147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.713147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.713147 (E_RNA)
where:
Base-Base interactions energy: -144.278
where: short stacking energy: -67.572
Base-Backbone interact. energy: -0.242
local terms energy: -79.192983
where:
bonds (distance) C4'-P energy: -15.261
bonds (distance) P-C4' energy: -21.595
flat angles C4'-P-C4' energy: -18.309
flat angles P-C4'-P energy: -9.920
tors. eta vs tors. theta energy: -14.109
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 126
Temperature: 1.300000
Total energy: -212.782744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.782744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.782744 (E_RNA)
where:
Base-Base interactions energy: -131.544
where: short stacking energy: -63.312
Base-Backbone interact. energy: -0.105
local terms energy: -81.134063
where:
bonds (distance) C4'-P energy: -19.703
bonds (distance) P-C4' energy: -19.305
flat angles C4'-P-C4' energy: -18.819
flat angles P-C4'-P energy: -5.428
tors. eta vs tors. theta energy: -17.879
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 126
Temperature: 1.350000
Total energy: -148.425375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.425375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.425375 (E_RNA)
where:
Base-Base interactions energy: -81.737
where: short stacking energy: -51.095
Base-Backbone interact. energy: -0.152
local terms energy: -66.537051
where:
bonds (distance) C4'-P energy: -13.560
bonds (distance) P-C4' energy: -13.234
flat angles C4'-P-C4' energy: -18.177
flat angles P-C4'-P energy: -15.615
tors. eta vs tors. theta energy: -5.951
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 127
Temperature: 0.900000
Total energy: -337.431816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.431816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.431816 (E_RNA)
where:
Base-Base interactions energy: -246.031
where: short stacking energy: -102.001
Base-Backbone interact. energy: -0.592
local terms energy: -90.808472
where:
bonds (distance) C4'-P energy: -13.956
bonds (distance) P-C4' energy: -20.454
flat angles C4'-P-C4' energy: -18.110
flat angles P-C4'-P energy: -15.437
tors. eta vs tors. theta energy: -22.851
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 127
Temperature: 0.950000
Total energy: -296.512499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.512499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.512499 (E_RNA)
where:
Base-Base interactions energy: -198.911
where: short stacking energy: -96.286
Base-Backbone interact. energy: -0.064
local terms energy: -97.537500
where:
bonds (distance) C4'-P energy: -20.063
bonds (distance) P-C4' energy: -15.678
flat angles C4'-P-C4' energy: -19.955
flat angles P-C4'-P energy: -14.483
tors. eta vs tors. theta energy: -27.358
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 127
Temperature: 1.000000
Total energy: -288.987079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.987079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.987079 (E_RNA)
where:
Base-Base interactions energy: -199.068
where: short stacking energy: -81.882
Base-Backbone interact. energy: -0.242
local terms energy: -89.676905
where:
bonds (distance) C4'-P energy: -17.572
bonds (distance) P-C4' energy: -19.513
flat angles C4'-P-C4' energy: -18.755
flat angles P-C4'-P energy: -12.667
tors. eta vs tors. theta energy: -21.169
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 127
Temperature: 1.050000
Total energy: -271.808327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.808327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.808327 (E_RNA)
where:
Base-Base interactions energy: -191.284
where: short stacking energy: -74.159
Base-Backbone interact. energy: -0.886
local terms energy: -79.637889
where:
bonds (distance) C4'-P energy: -15.144
bonds (distance) P-C4' energy: -16.706
flat angles C4'-P-C4' energy: -16.643
flat angles P-C4'-P energy: -14.784
tors. eta vs tors. theta energy: -16.361
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 127
Temperature: 1.100000
Total energy: -250.979503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.979503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.979503 (E_RNA)
where:
Base-Base interactions energy: -161.081
where: short stacking energy: -81.572
Base-Backbone interact. energy: -0.233
local terms energy: -89.665577
where:
bonds (distance) C4'-P energy: -18.197
bonds (distance) P-C4' energy: -18.528
flat angles C4'-P-C4' energy: -17.399
flat angles P-C4'-P energy: -11.916
tors. eta vs tors. theta energy: -23.625
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 127
Temperature: 1.150000
Total energy: -239.638599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.638599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.638599 (E_RNA)
where:
Base-Base interactions energy: -150.420
where: short stacking energy: -65.828
Base-Backbone interact. energy: -1.295
local terms energy: -87.923649
where:
bonds (distance) C4'-P energy: -18.689
bonds (distance) P-C4' energy: -18.551
flat angles C4'-P-C4' energy: -18.759
flat angles P-C4'-P energy: -14.301
tors. eta vs tors. theta energy: -17.623
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 127
Temperature: 1.200000
Total energy: -240.567111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.567111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.567111 (E_RNA)
where:
Base-Base interactions energy: -158.111
where: short stacking energy: -66.605
Base-Backbone interact. energy: -0.290
local terms energy: -82.165546
where:
bonds (distance) C4'-P energy: -19.172
bonds (distance) P-C4' energy: -16.304
flat angles C4'-P-C4' energy: -15.841
flat angles P-C4'-P energy: -12.540
tors. eta vs tors. theta energy: -18.308
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 127
Temperature: 1.250000
Total energy: -219.712693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.712693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.712693 (E_RNA)
where:
Base-Base interactions energy: -142.650
where: short stacking energy: -59.199
Base-Backbone interact. energy: -0.102
local terms energy: -76.960478
where:
bonds (distance) C4'-P energy: -17.857
bonds (distance) P-C4' energy: -18.306
flat angles C4'-P-C4' energy: -16.583
flat angles P-C4'-P energy: -12.796
tors. eta vs tors. theta energy: -11.419
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 127
Temperature: 1.300000
Total energy: -200.496472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.496472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.496472 (E_RNA)
where:
Base-Base interactions energy: -130.835
where: short stacking energy: -60.312
Base-Backbone interact. energy: -0.785
local terms energy: -68.876438
where:
bonds (distance) C4'-P energy: -13.946
bonds (distance) P-C4' energy: -16.650
flat angles C4'-P-C4' energy: -17.743
flat angles P-C4'-P energy: -8.986
tors. eta vs tors. theta energy: -11.551
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 127
Temperature: 1.350000
Total energy: -109.972302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.972302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.972302 (E_RNA)
where:
Base-Base interactions energy: -36.022
where: short stacking energy: -35.452
Base-Backbone interact. energy: -0.096
local terms energy: -73.854138
where:
bonds (distance) C4'-P energy: -22.012
bonds (distance) P-C4' energy: -16.147
flat angles C4'-P-C4' energy: -16.117
flat angles P-C4'-P energy: -11.106
tors. eta vs tors. theta energy: -8.471
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 128
Temperature: 0.900000
Total energy: -299.627676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.627676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.627676 (E_RNA)
where:
Base-Base interactions energy: -198.342
where: short stacking energy: -92.213
Base-Backbone interact. energy: -0.413
local terms energy: -100.872442
where:
bonds (distance) C4'-P energy: -16.636
bonds (distance) P-C4' energy: -21.677
flat angles C4'-P-C4' energy: -22.829
flat angles P-C4'-P energy: -12.531
tors. eta vs tors. theta energy: -27.199
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 128
Temperature: 0.950000
Total energy: -326.826058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.826058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.826058 (E_RNA)
where:
Base-Base interactions energy: -237.335
where: short stacking energy: -97.602
Base-Backbone interact. energy: -0.985
local terms energy: -88.506484
where:
bonds (distance) C4'-P energy: -17.397
bonds (distance) P-C4' energy: -20.068
flat angles C4'-P-C4' energy: -17.889
flat angles P-C4'-P energy: -12.796
tors. eta vs tors. theta energy: -20.356
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 128
Temperature: 1.000000
Total energy: -281.511468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.511468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.511468 (E_RNA)
where:
Base-Base interactions energy: -194.032
where: short stacking energy: -88.620
Base-Backbone interact. energy: -0.388
local terms energy: -87.091024
where:
bonds (distance) C4'-P energy: -13.449
bonds (distance) P-C4' energy: -22.232
flat angles C4'-P-C4' energy: -19.130
flat angles P-C4'-P energy: -14.142
tors. eta vs tors. theta energy: -18.138
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 128
Temperature: 1.050000
Total energy: -269.202612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.202612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.202612 (E_RNA)
where:
Base-Base interactions energy: -189.292
where: short stacking energy: -83.190
Base-Backbone interact. energy: -0.183
local terms energy: -79.727684
where:
bonds (distance) C4'-P energy: -16.661
bonds (distance) P-C4' energy: -15.510
flat angles C4'-P-C4' energy: -21.589
flat angles P-C4'-P energy: -8.707
tors. eta vs tors. theta energy: -17.260
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 128
Temperature: 1.100000
Total energy: -257.016602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.016602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.016602 (E_RNA)
where:
Base-Base interactions energy: -166.456
where: short stacking energy: -71.142
Base-Backbone interact. energy: -0.183
local terms energy: -90.377688
where:
bonds (distance) C4'-P energy: -20.932
bonds (distance) P-C4' energy: -22.458
flat angles C4'-P-C4' energy: -17.591
flat angles P-C4'-P energy: -11.490
tors. eta vs tors. theta energy: -17.907
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 128
Temperature: 1.150000
Total energy: -249.929642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.929642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.929642 (E_RNA)
where:
Base-Base interactions energy: -157.889
where: short stacking energy: -72.721
Base-Backbone interact. energy: -0.185
local terms energy: -91.856377
where:
bonds (distance) C4'-P energy: -18.410
bonds (distance) P-C4' energy: -18.914
flat angles C4'-P-C4' energy: -21.276
flat angles P-C4'-P energy: -16.062
tors. eta vs tors. theta energy: -17.194
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 128
Temperature: 1.200000
Total energy: -226.257445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.257445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.257445 (E_RNA)
where:
Base-Base interactions energy: -145.592
where: short stacking energy: -74.483
Base-Backbone interact. energy: -0.168
local terms energy: -80.496858
where:
bonds (distance) C4'-P energy: -14.999
bonds (distance) P-C4' energy: -20.627
flat angles C4'-P-C4' energy: -19.304
flat angles P-C4'-P energy: -8.131
tors. eta vs tors. theta energy: -17.436
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 128
Temperature: 1.250000
Total energy: -227.089747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.089747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.089747 (E_RNA)
where:
Base-Base interactions energy: -147.536
where: short stacking energy: -68.737
Base-Backbone interact. energy: -1.110
local terms energy: -78.443441
where:
bonds (distance) C4'-P energy: -17.434
bonds (distance) P-C4' energy: -16.669
flat angles C4'-P-C4' energy: -17.925
flat angles P-C4'-P energy: -13.323
tors. eta vs tors. theta energy: -13.093
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 128
Temperature: 1.300000
Total energy: -207.440215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.440215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.440215 (E_RNA)
where:
Base-Base interactions energy: -133.165
where: short stacking energy: -67.496
Base-Backbone interact. energy: -0.043
local terms energy: -74.232461
where:
bonds (distance) C4'-P energy: -14.606
bonds (distance) P-C4' energy: -18.152
flat angles C4'-P-C4' energy: -17.796
flat angles P-C4'-P energy: -6.427
tors. eta vs tors. theta energy: -17.251
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 128
Temperature: 1.350000
Total energy: -102.388597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.388597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.388597 (E_RNA)
where:
Base-Base interactions energy: -36.370
where: short stacking energy: -36.370
Base-Backbone interact. energy: -0.141
local terms energy: -65.877311
where:
bonds (distance) C4'-P energy: -20.419
bonds (distance) P-C4' energy: -19.756
flat angles C4'-P-C4' energy: -14.370
flat angles P-C4'-P energy: -8.934
tors. eta vs tors. theta energy: -2.398
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 129
Temperature: 0.900000
Total energy: -298.289078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.289078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.289078 (E_RNA)
where:
Base-Base interactions energy: -197.009
where: short stacking energy: -100.987
Base-Backbone interact. energy: -0.010
local terms energy: -101.270602
where:
bonds (distance) C4'-P energy: -18.569
bonds (distance) P-C4' energy: -21.619
flat angles C4'-P-C4' energy: -22.718
flat angles P-C4'-P energy: -14.327
tors. eta vs tors. theta energy: -24.038
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 129
Temperature: 0.950000
Total energy: -340.819829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.819829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.819829 (E_RNA)
where:
Base-Base interactions energy: -246.889
where: short stacking energy: -101.010
Base-Backbone interact. energy: -1.085
local terms energy: -92.845419
where:
bonds (distance) C4'-P energy: -13.808
bonds (distance) P-C4' energy: -20.541
flat angles C4'-P-C4' energy: -21.025
flat angles P-C4'-P energy: -14.751
tors. eta vs tors. theta energy: -22.720
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 129
Temperature: 1.000000
Total energy: -273.482105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.482105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.482105 (E_RNA)
where:
Base-Base interactions energy: -178.440
where: short stacking energy: -70.306
Base-Backbone interact. energy: -2.283
local terms energy: -92.758549
where:
bonds (distance) C4'-P energy: -18.410
bonds (distance) P-C4' energy: -20.548
flat angles C4'-P-C4' energy: -21.247
flat angles P-C4'-P energy: -12.863
tors. eta vs tors. theta energy: -19.691
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 129
Temperature: 1.050000
Total energy: -266.667914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.667914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.667914 (E_RNA)
where:
Base-Base interactions energy: -176.204
where: short stacking energy: -81.707
Base-Backbone interact. energy: -0.668
local terms energy: -89.795488
where:
bonds (distance) C4'-P energy: -19.348
bonds (distance) P-C4' energy: -17.710
flat angles C4'-P-C4' energy: -17.441
flat angles P-C4'-P energy: -16.311
tors. eta vs tors. theta energy: -18.985
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 129
Temperature: 1.100000
Total energy: -253.716557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.716557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.716557 (E_RNA)
where:
Base-Base interactions energy: -172.003
where: short stacking energy: -80.868
Base-Backbone interact. energy: -0.466
local terms energy: -81.247635
where:
bonds (distance) C4'-P energy: -15.522
bonds (distance) P-C4' energy: -16.833
flat angles C4'-P-C4' energy: -18.742
flat angles P-C4'-P energy: -12.098
tors. eta vs tors. theta energy: -18.053
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 129
Temperature: 1.150000
Total energy: -242.574232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.574232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.574232 (E_RNA)
where:
Base-Base interactions energy: -164.813
where: short stacking energy: -70.134
Base-Backbone interact. energy: -0.750
local terms energy: -77.010831
where:
bonds (distance) C4'-P energy: -18.538
bonds (distance) P-C4' energy: -13.885
flat angles C4'-P-C4' energy: -19.164
flat angles P-C4'-P energy: -9.642
tors. eta vs tors. theta energy: -15.781
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 129
Temperature: 1.200000
Total energy: -243.018973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.018973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.018973 (E_RNA)
where:
Base-Base interactions energy: -161.464
where: short stacking energy: -80.676
Base-Backbone interact. energy: -0.107
local terms energy: -81.447525
where:
bonds (distance) C4'-P energy: -15.767
bonds (distance) P-C4' energy: -22.603
flat angles C4'-P-C4' energy: -13.707
flat angles P-C4'-P energy: -13.914
tors. eta vs tors. theta energy: -15.457
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 129
Temperature: 1.250000
Total energy: -224.391276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.391276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.391276 (E_RNA)
where:
Base-Base interactions energy: -148.289
where: short stacking energy: -76.805
Base-Backbone interact. energy: -0.152
local terms energy: -75.950526
where:
bonds (distance) C4'-P energy: -15.067
bonds (distance) P-C4' energy: -13.904
flat angles C4'-P-C4' energy: -15.912
flat angles P-C4'-P energy: -15.461
tors. eta vs tors. theta energy: -15.606
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 129
Temperature: 1.300000
Total energy: -193.699407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.699407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.699407 (E_RNA)
where:
Base-Base interactions energy: -121.641
where: short stacking energy: -58.095
Base-Backbone interact. energy: -0.151
local terms energy: -71.907712
where:
bonds (distance) C4'-P energy: -16.425
bonds (distance) P-C4' energy: -16.091
flat angles C4'-P-C4' energy: -12.327
flat angles P-C4'-P energy: -13.763
tors. eta vs tors. theta energy: -13.302
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 129
Temperature: 1.350000
Total energy: -89.970939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.970939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.970939 (E_RNA)
where:
Base-Base interactions energy: -37.443
where: short stacking energy: -34.072
Base-Backbone interact. energy: -0.074
local terms energy: -52.454196
where:
bonds (distance) C4'-P energy: -18.818
bonds (distance) P-C4' energy: -18.613
flat angles C4'-P-C4' energy: -15.475
flat angles P-C4'-P energy: -2.520
tors. eta vs tors. theta energy: 2.972
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 130
Temperature: 0.900000
Total energy: -342.116897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.116897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.116897 (E_RNA)
where:
Base-Base interactions energy: -244.948
where: short stacking energy: -100.060
Base-Backbone interact. energy: -0.762
local terms energy: -96.406946
where:
bonds (distance) C4'-P energy: -20.578
bonds (distance) P-C4' energy: -16.065
flat angles C4'-P-C4' energy: -19.252
flat angles P-C4'-P energy: -15.732
tors. eta vs tors. theta energy: -24.781
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 130
Temperature: 0.950000
Total energy: -299.971427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.971427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.971427 (E_RNA)
where:
Base-Base interactions energy: -201.986
where: short stacking energy: -95.377
Base-Backbone interact. energy: -0.738
local terms energy: -97.247254
where:
bonds (distance) C4'-P energy: -17.446
bonds (distance) P-C4' energy: -18.477
flat angles C4'-P-C4' energy: -21.619
flat angles P-C4'-P energy: -12.322
tors. eta vs tors. theta energy: -27.383
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 130
Temperature: 1.000000
Total energy: -282.878857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.878857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.878857 (E_RNA)
where:
Base-Base interactions energy: -191.593
where: short stacking energy: -82.379
Base-Backbone interact. energy: -1.882
local terms energy: -89.403683
where:
bonds (distance) C4'-P energy: -21.910
bonds (distance) P-C4' energy: -16.753
flat angles C4'-P-C4' energy: -21.163
flat angles P-C4'-P energy: -12.431
tors. eta vs tors. theta energy: -17.146
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 130
Temperature: 1.050000
Total energy: -264.834254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.834254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.834254 (E_RNA)
where:
Base-Base interactions energy: -170.306
where: short stacking energy: -84.999
Base-Backbone interact. energy: -0.879
local terms energy: -93.648283
where:
bonds (distance) C4'-P energy: -21.199
bonds (distance) P-C4' energy: -20.137
flat angles C4'-P-C4' energy: -14.125
flat angles P-C4'-P energy: -15.468
tors. eta vs tors. theta energy: -22.720
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 130
Temperature: 1.100000
Total energy: -260.500290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.500290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.500290 (E_RNA)
where:
Base-Base interactions energy: -170.269
where: short stacking energy: -81.798
Base-Backbone interact. energy: -0.172
local terms energy: -90.059062
where:
bonds (distance) C4'-P energy: -15.855
bonds (distance) P-C4' energy: -19.084
flat angles C4'-P-C4' energy: -20.320
flat angles P-C4'-P energy: -12.830
tors. eta vs tors. theta energy: -21.971
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 130
Temperature: 1.150000
Total energy: -229.533996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.533996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.533996 (E_RNA)
where:
Base-Base interactions energy: -143.139
where: short stacking energy: -71.593
Base-Backbone interact. energy: -0.066
local terms energy: -86.329058
where:
bonds (distance) C4'-P energy: -17.866
bonds (distance) P-C4' energy: -20.118
flat angles C4'-P-C4' energy: -15.935
flat angles P-C4'-P energy: -15.944
tors. eta vs tors. theta energy: -16.466
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 130
Temperature: 1.200000
Total energy: -222.856947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.856947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.856947 (E_RNA)
where:
Base-Base interactions energy: -147.523
where: short stacking energy: -76.936
Base-Backbone interact. energy: 0.910
local terms energy: -76.244120
where:
bonds (distance) C4'-P energy: -18.717
bonds (distance) P-C4' energy: -16.701
flat angles C4'-P-C4' energy: -18.302
flat angles P-C4'-P energy: -4.987
tors. eta vs tors. theta energy: -17.536
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 130
Temperature: 1.250000
Total energy: -235.282812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.282812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.282812 (E_RNA)
where:
Base-Base interactions energy: -156.700
where: short stacking energy: -74.211
Base-Backbone interact. energy: 0.325
local terms energy: -78.907170
where:
bonds (distance) C4'-P energy: -22.431
bonds (distance) P-C4' energy: -15.024
flat angles C4'-P-C4' energy: -17.698
flat angles P-C4'-P energy: -4.982
tors. eta vs tors. theta energy: -18.772
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 130
Temperature: 1.300000
Total energy: -183.610285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.610285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.610285 (E_RNA)
where:
Base-Base interactions energy: -110.724
where: short stacking energy: -65.710
Base-Backbone interact. energy: -0.224
local terms energy: -72.662535
where:
bonds (distance) C4'-P energy: -16.214
bonds (distance) P-C4' energy: -19.986
flat angles C4'-P-C4' energy: -10.940
flat angles P-C4'-P energy: -14.162
tors. eta vs tors. theta energy: -11.361
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 130
Temperature: 1.350000
Total energy: -111.646362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.646362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.646362 (E_RNA)
where:
Base-Base interactions energy: -41.145
where: short stacking energy: -41.025
Base-Backbone interact. energy: -0.108
local terms energy: -70.394034
where:
bonds (distance) C4'-P energy: -18.284
bonds (distance) P-C4' energy: -18.677
flat angles C4'-P-C4' energy: -12.350
flat angles P-C4'-P energy: -9.355
tors. eta vs tors. theta energy: -11.728
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 131
Temperature: 0.900000
Total energy: -333.949028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.949028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.949028 (E_RNA)
where:
Base-Base interactions energy: -234.812
where: short stacking energy: -101.740
Base-Backbone interact. energy: -0.284
local terms energy: -98.852744
where:
bonds (distance) C4'-P energy: -18.595
bonds (distance) P-C4' energy: -21.775
flat angles C4'-P-C4' energy: -20.607
flat angles P-C4'-P energy: -14.646
tors. eta vs tors. theta energy: -23.231
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 131
Temperature: 0.950000
Total energy: -286.274441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.274441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.274441 (E_RNA)
where:
Base-Base interactions energy: -193.112
where: short stacking energy: -84.963
Base-Backbone interact. energy: -0.495
local terms energy: -92.666939
where:
bonds (distance) C4'-P energy: -19.844
bonds (distance) P-C4' energy: -22.913
flat angles C4'-P-C4' energy: -18.058
flat angles P-C4'-P energy: -8.578
tors. eta vs tors. theta energy: -23.275
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 131
Temperature: 1.000000
Total energy: -265.406041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.406041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.406041 (E_RNA)
where:
Base-Base interactions energy: -179.781
where: short stacking energy: -92.006
Base-Backbone interact. energy: -0.142
local terms energy: -85.482829
where:
bonds (distance) C4'-P energy: -11.514
bonds (distance) P-C4' energy: -16.971
flat angles C4'-P-C4' energy: -22.634
flat angles P-C4'-P energy: -13.544
tors. eta vs tors. theta energy: -20.821
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 131
Temperature: 1.050000
Total energy: -272.879563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.879563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.879563 (E_RNA)
where:
Base-Base interactions energy: -183.032
where: short stacking energy: -88.069
Base-Backbone interact. energy: -0.443
local terms energy: -89.404270
where:
bonds (distance) C4'-P energy: -13.882
bonds (distance) P-C4' energy: -19.142
flat angles C4'-P-C4' energy: -19.476
flat angles P-C4'-P energy: -16.591
tors. eta vs tors. theta energy: -20.314
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 131
Temperature: 1.100000
Total energy: -250.205817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.205817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.205817 (E_RNA)
where:
Base-Base interactions energy: -168.392
where: short stacking energy: -71.877
Base-Backbone interact. energy: -0.342
local terms energy: -81.472122
where:
bonds (distance) C4'-P energy: -14.810
bonds (distance) P-C4' energy: -19.300
flat angles C4'-P-C4' energy: -19.663
flat angles P-C4'-P energy: -14.436
tors. eta vs tors. theta energy: -13.263
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 131
Temperature: 1.150000
Total energy: -246.303832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.303832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.303832 (E_RNA)
where:
Base-Base interactions energy: -166.543
where: short stacking energy: -73.092
Base-Backbone interact. energy: 0.009
local terms energy: -79.770137
where:
bonds (distance) C4'-P energy: -16.953
bonds (distance) P-C4' energy: -13.817
flat angles C4'-P-C4' energy: -20.264
flat angles P-C4'-P energy: -12.282
tors. eta vs tors. theta energy: -16.455
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 131
Temperature: 1.200000
Total energy: -232.406377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.406377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.406377 (E_RNA)
where:
Base-Base interactions energy: -151.070
where: short stacking energy: -75.180
Base-Backbone interact. energy: -0.183
local terms energy: -81.152877
where:
bonds (distance) C4'-P energy: -15.146
bonds (distance) P-C4' energy: -16.314
flat angles C4'-P-C4' energy: -15.450
flat angles P-C4'-P energy: -14.268
tors. eta vs tors. theta energy: -19.975
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 131
Temperature: 1.250000
Total energy: -227.830072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.830072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.830072 (E_RNA)
where:
Base-Base interactions energy: -146.647
where: short stacking energy: -70.770
Base-Backbone interact. energy: -0.278
local terms energy: -80.904428
where:
bonds (distance) C4'-P energy: -13.037
bonds (distance) P-C4' energy: -17.769
flat angles C4'-P-C4' energy: -17.196
flat angles P-C4'-P energy: -17.697
tors. eta vs tors. theta energy: -15.205
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 131
Temperature: 1.300000
Total energy: -203.231454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.231454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.231454 (E_RNA)
where:
Base-Base interactions energy: -119.700
where: short stacking energy: -67.543
Base-Backbone interact. energy: -0.482
local terms energy: -83.049749
where:
bonds (distance) C4'-P energy: -20.486
bonds (distance) P-C4' energy: -22.135
flat angles C4'-P-C4' energy: -14.038
flat angles P-C4'-P energy: -7.748
tors. eta vs tors. theta energy: -18.642
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 131
Temperature: 1.350000
Total energy: -107.663827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.663827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.663827 (E_RNA)
where:
Base-Base interactions energy: -47.650
where: short stacking energy: -47.650
Base-Backbone interact. energy: -0.196
local terms energy: -59.818230
where:
bonds (distance) C4'-P energy: -18.729
bonds (distance) P-C4' energy: -14.929
flat angles C4'-P-C4' energy: -17.844
flat angles P-C4'-P energy: -4.803
tors. eta vs tors. theta energy: -3.514
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 132
Temperature: 0.900000
Total energy: -333.079478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.079478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.079478 (E_RNA)
where:
Base-Base interactions energy: -232.684
where: short stacking energy: -94.915
Base-Backbone interact. energy: -0.419
local terms energy: -99.977033
where:
bonds (distance) C4'-P energy: -18.626
bonds (distance) P-C4' energy: -19.597
flat angles C4'-P-C4' energy: -19.153
flat angles P-C4'-P energy: -15.433
tors. eta vs tors. theta energy: -27.168
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 132
Temperature: 0.950000
Total energy: -289.104965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.104965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.104965 (E_RNA)
where:
Base-Base interactions energy: -195.922
where: short stacking energy: -86.076
Base-Backbone interact. energy: -1.373
local terms energy: -91.809775
where:
bonds (distance) C4'-P energy: -20.246
bonds (distance) P-C4' energy: -18.479
flat angles C4'-P-C4' energy: -17.682
flat angles P-C4'-P energy: -14.619
tors. eta vs tors. theta energy: -20.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 132
Temperature: 1.000000
Total energy: -270.565581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.565581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.565581 (E_RNA)
where:
Base-Base interactions energy: -180.205
where: short stacking energy: -80.921
Base-Backbone interact. energy: -0.149
local terms energy: -90.211343
where:
bonds (distance) C4'-P energy: -20.937
bonds (distance) P-C4' energy: -17.917
flat angles C4'-P-C4' energy: -20.917
flat angles P-C4'-P energy: -9.876
tors. eta vs tors. theta energy: -20.564
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 132
Temperature: 1.050000
Total energy: -273.908048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.908048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.908048 (E_RNA)
where:
Base-Base interactions energy: -183.878
where: short stacking energy: -71.407
Base-Backbone interact. energy: -0.402
local terms energy: -89.628125
where:
bonds (distance) C4'-P energy: -20.081
bonds (distance) P-C4' energy: -18.841
flat angles C4'-P-C4' energy: -18.561
flat angles P-C4'-P energy: -16.790
tors. eta vs tors. theta energy: -15.355
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 132
Temperature: 1.100000
Total energy: -244.621087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.621087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.621087 (E_RNA)
where:
Base-Base interactions energy: -152.832
where: short stacking energy: -69.967
Base-Backbone interact. energy: -0.223
local terms energy: -91.566835
where:
bonds (distance) C4'-P energy: -20.137
bonds (distance) P-C4' energy: -22.075
flat angles C4'-P-C4' energy: -18.672
flat angles P-C4'-P energy: -8.963
tors. eta vs tors. theta energy: -21.719
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 132
Temperature: 1.150000
Total energy: -238.766058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.766058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.766058 (E_RNA)
where:
Base-Base interactions energy: -161.155
where: short stacking energy: -74.843
Base-Backbone interact. energy: -0.024
local terms energy: -77.587183
where:
bonds (distance) C4'-P energy: -12.969
bonds (distance) P-C4' energy: -16.265
flat angles C4'-P-C4' energy: -17.072
flat angles P-C4'-P energy: -13.764
tors. eta vs tors. theta energy: -17.517
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 132
Temperature: 1.200000
Total energy: -229.851044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.851044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.851044 (E_RNA)
where:
Base-Base interactions energy: -147.853
where: short stacking energy: -80.284
Base-Backbone interact. energy: -0.079
local terms energy: -81.918999
where:
bonds (distance) C4'-P energy: -19.789
bonds (distance) P-C4' energy: -16.548
flat angles C4'-P-C4' energy: -18.147
flat angles P-C4'-P energy: -12.942
tors. eta vs tors. theta energy: -14.492
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 132
Temperature: 1.250000
Total energy: -221.848288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.848288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.848288 (E_RNA)
where:
Base-Base interactions energy: -138.307
where: short stacking energy: -65.806
Base-Backbone interact. energy: -0.644
local terms energy: -82.897728
where:
bonds (distance) C4'-P energy: -18.434
bonds (distance) P-C4' energy: -21.947
flat angles C4'-P-C4' energy: -15.589
flat angles P-C4'-P energy: -12.825
tors. eta vs tors. theta energy: -14.104
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 132
Temperature: 1.300000
Total energy: -176.081756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.081756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.081756 (E_RNA)
where:
Base-Base interactions energy: -103.200
where: short stacking energy: -51.547
Base-Backbone interact. energy: 0.072
local terms energy: -72.953551
where:
bonds (distance) C4'-P energy: -14.323
bonds (distance) P-C4' energy: -23.029
flat angles C4'-P-C4' energy: -16.793
flat angles P-C4'-P energy: -12.487
tors. eta vs tors. theta energy: -6.322
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 132
Temperature: 1.350000
Total energy: -116.661421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.661421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.661421 (E_RNA)
where:
Base-Base interactions energy: -58.354
where: short stacking energy: -37.608
Base-Backbone interact. energy: 0.185
local terms energy: -58.492410
where:
bonds (distance) C4'-P energy: -12.413
bonds (distance) P-C4' energy: -20.295
flat angles C4'-P-C4' energy: -12.593
flat angles P-C4'-P energy: -11.283
tors. eta vs tors. theta energy: -1.908
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 133
Temperature: 0.900000
Total energy: -331.019326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.019326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.019326 (E_RNA)
where:
Base-Base interactions energy: -243.621
where: short stacking energy: -102.047
Base-Backbone interact. energy: -1.026
local terms energy: -86.372367
where:
bonds (distance) C4'-P energy: -15.191
bonds (distance) P-C4' energy: -14.649
flat angles C4'-P-C4' energy: -17.521
flat angles P-C4'-P energy: -13.793
tors. eta vs tors. theta energy: -25.218
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 133
Temperature: 0.950000
Total energy: -294.706712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.706712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.706712 (E_RNA)
where:
Base-Base interactions energy: -199.242
where: short stacking energy: -81.599
Base-Backbone interact. energy: -0.425
local terms energy: -95.039904
where:
bonds (distance) C4'-P energy: -13.592
bonds (distance) P-C4' energy: -22.102
flat angles C4'-P-C4' energy: -23.655
flat angles P-C4'-P energy: -14.990
tors. eta vs tors. theta energy: -20.701
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 133
Temperature: 1.000000
Total energy: -288.793647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.793647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.793647 (E_RNA)
where:
Base-Base interactions energy: -195.334
where: short stacking energy: -88.202
Base-Backbone interact. energy: -0.584
local terms energy: -92.875284
where:
bonds (distance) C4'-P energy: -21.032
bonds (distance) P-C4' energy: -21.045
flat angles C4'-P-C4' energy: -17.457
flat angles P-C4'-P energy: -17.636
tors. eta vs tors. theta energy: -15.705
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 133
Temperature: 1.050000
Total energy: -279.499697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.499697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.499697 (E_RNA)
where:
Base-Base interactions energy: -182.833
where: short stacking energy: -89.110
Base-Backbone interact. energy: -0.200
local terms energy: -96.466288
where:
bonds (distance) C4'-P energy: -18.491
bonds (distance) P-C4' energy: -19.467
flat angles C4'-P-C4' energy: -20.261
flat angles P-C4'-P energy: -13.334
tors. eta vs tors. theta energy: -24.913
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 133
Temperature: 1.100000
Total energy: -243.613152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.613152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.613152 (E_RNA)
where:
Base-Base interactions energy: -166.006
where: short stacking energy: -75.014
Base-Backbone interact. energy: -0.153
local terms energy: -77.454141
where:
bonds (distance) C4'-P energy: -17.276
bonds (distance) P-C4' energy: -20.304
flat angles C4'-P-C4' energy: -15.730
flat angles P-C4'-P energy: -11.262
tors. eta vs tors. theta energy: -12.881
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 133
Temperature: 1.150000
Total energy: -245.850353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.850353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.850353 (E_RNA)
where:
Base-Base interactions energy: -166.369
where: short stacking energy: -66.966
Base-Backbone interact. energy: -0.111
local terms energy: -79.369672
where:
bonds (distance) C4'-P energy: -17.663
bonds (distance) P-C4' energy: -21.078
flat angles C4'-P-C4' energy: -18.420
flat angles P-C4'-P energy: -6.561
tors. eta vs tors. theta energy: -15.648
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 133
Temperature: 1.200000
Total energy: -200.731630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.731630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.731630 (E_RNA)
where:
Base-Base interactions energy: -129.709
where: short stacking energy: -63.888
Base-Backbone interact. energy: -0.758
local terms energy: -70.264804
where:
bonds (distance) C4'-P energy: -17.075
bonds (distance) P-C4' energy: -13.411
flat angles C4'-P-C4' energy: -15.394
flat angles P-C4'-P energy: -8.089
tors. eta vs tors. theta energy: -16.295
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 133
Temperature: 1.250000
Total energy: -221.556169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.556169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.556169 (E_RNA)
where:
Base-Base interactions energy: -142.788
where: short stacking energy: -60.619
Base-Backbone interact. energy: -0.111
local terms energy: -78.657105
where:
bonds (distance) C4'-P energy: -15.146
bonds (distance) P-C4' energy: -23.032
flat angles C4'-P-C4' energy: -15.130
flat angles P-C4'-P energy: -12.742
tors. eta vs tors. theta energy: -12.607
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 133
Temperature: 1.300000
Total energy: -111.539231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.539231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.539231 (E_RNA)
where:
Base-Base interactions energy: -40.590
where: short stacking energy: -39.809
Base-Backbone interact. energy: -0.053
local terms energy: -70.896607
where:
bonds (distance) C4'-P energy: -19.151
bonds (distance) P-C4' energy: -15.840
flat angles C4'-P-C4' energy: -19.389
flat angles P-C4'-P energy: -7.940
tors. eta vs tors. theta energy: -8.577
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 133
Temperature: 1.350000
Total energy: -102.489023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.489023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.489023 (E_RNA)
where:
Base-Base interactions energy: -54.335
where: short stacking energy: -39.960
Base-Backbone interact. energy: -0.263
local terms energy: -47.890843
where:
bonds (distance) C4'-P energy: -13.362
bonds (distance) P-C4' energy: -11.851
flat angles C4'-P-C4' energy: -10.254
flat angles P-C4'-P energy: -8.659
tors. eta vs tors. theta energy: -3.765
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 134
Temperature: 0.900000
Total energy: -333.857694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.857694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.857694 (E_RNA)
where:
Base-Base interactions energy: -238.290
where: short stacking energy: -89.661
Base-Backbone interact. energy: -1.227
local terms energy: -94.340699
where:
bonds (distance) C4'-P energy: -19.352
bonds (distance) P-C4' energy: -20.757
flat angles C4'-P-C4' energy: -17.784
flat angles P-C4'-P energy: -12.573
tors. eta vs tors. theta energy: -23.875
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 134
Temperature: 0.950000
Total energy: -285.199261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.199261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.199261 (E_RNA)
where:
Base-Base interactions energy: -192.284
where: short stacking energy: -79.758
Base-Backbone interact. energy: -1.122
local terms energy: -91.793193
where:
bonds (distance) C4'-P energy: -22.170
bonds (distance) P-C4' energy: -19.731
flat angles C4'-P-C4' energy: -19.514
flat angles P-C4'-P energy: -13.326
tors. eta vs tors. theta energy: -17.052
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 134
Temperature: 1.000000
Total energy: -269.555260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.555260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.555260 (E_RNA)
where:
Base-Base interactions energy: -178.976
where: short stacking energy: -88.594
Base-Backbone interact. energy: -0.096
local terms energy: -90.483044
where:
bonds (distance) C4'-P energy: -16.012
bonds (distance) P-C4' energy: -19.808
flat angles C4'-P-C4' energy: -16.589
flat angles P-C4'-P energy: -16.743
tors. eta vs tors. theta energy: -21.331
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 134
Temperature: 1.050000
Total energy: -281.253349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.253349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.253349 (E_RNA)
where:
Base-Base interactions energy: -189.497
where: short stacking energy: -95.471
Base-Backbone interact. energy: -0.563
local terms energy: -91.192783
where:
bonds (distance) C4'-P energy: -19.497
bonds (distance) P-C4' energy: -16.058
flat angles C4'-P-C4' energy: -20.601
flat angles P-C4'-P energy: -12.131
tors. eta vs tors. theta energy: -22.906
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 134
Temperature: 1.100000
Total energy: -248.957083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.957083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.957083 (E_RNA)
where:
Base-Base interactions energy: -153.350
where: short stacking energy: -83.865
Base-Backbone interact. energy: -0.389
local terms energy: -95.217713
where:
bonds (distance) C4'-P energy: -18.230
bonds (distance) P-C4' energy: -19.197
flat angles C4'-P-C4' energy: -20.506
flat angles P-C4'-P energy: -14.908
tors. eta vs tors. theta energy: -22.377
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 134
Temperature: 1.150000
Total energy: -235.240486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.240486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.240486 (E_RNA)
where:
Base-Base interactions energy: -149.243
where: short stacking energy: -73.017
Base-Backbone interact. energy: -0.331
local terms energy: -85.666571
where:
bonds (distance) C4'-P energy: -20.565
bonds (distance) P-C4' energy: -22.044
flat angles C4'-P-C4' energy: -15.384
flat angles P-C4'-P energy: -12.279
tors. eta vs tors. theta energy: -15.393
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 134
Temperature: 1.200000
Total energy: -235.133916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.133916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.133916 (E_RNA)
where:
Base-Base interactions energy: -154.416
where: short stacking energy: -82.744
Base-Backbone interact. energy: -0.772
local terms energy: -79.945924
where:
bonds (distance) C4'-P energy: -17.180
bonds (distance) P-C4' energy: -15.218
flat angles C4'-P-C4' energy: -18.794
flat angles P-C4'-P energy: -6.998
tors. eta vs tors. theta energy: -21.755
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 134
Temperature: 1.250000
Total energy: -234.545805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.545805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.545805 (E_RNA)
where:
Base-Base interactions energy: -159.327
where: short stacking energy: -67.299
Base-Backbone interact. energy: -0.408
local terms energy: -74.810589
where:
bonds (distance) C4'-P energy: -19.162
bonds (distance) P-C4' energy: -14.516
flat angles C4'-P-C4' energy: -19.185
flat angles P-C4'-P energy: -9.128
tors. eta vs tors. theta energy: -12.820
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 134
Temperature: 1.300000
Total energy: -109.788809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.788809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.788809 (E_RNA)
where:
Base-Base interactions energy: -50.234
where: short stacking energy: -37.245
Base-Backbone interact. energy: 2.177
local terms energy: -61.731729
where:
bonds (distance) C4'-P energy: -15.216
bonds (distance) P-C4' energy: -20.506
flat angles C4'-P-C4' energy: -12.515
flat angles P-C4'-P energy: -12.642
tors. eta vs tors. theta energy: -0.852
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 134
Temperature: 1.350000
Total energy: -100.148784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.148784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.148784 (E_RNA)
where:
Base-Base interactions energy: -39.468
where: short stacking energy: -28.949
Base-Backbone interact. energy: -0.064
local terms energy: -60.616833
where:
bonds (distance) C4'-P energy: -19.139
bonds (distance) P-C4' energy: -21.921
flat angles C4'-P-C4' energy: -8.375
flat angles P-C4'-P energy: -7.674
tors. eta vs tors. theta energy: -3.507
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 135
Temperature: 0.900000
Total energy: -338.923651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.923651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.923651 (E_RNA)
where:
Base-Base interactions energy: -248.896
where: short stacking energy: -104.548
Base-Backbone interact. energy: 0.505
local terms energy: -90.531963
where:
bonds (distance) C4'-P energy: -12.717
bonds (distance) P-C4' energy: -20.117
flat angles C4'-P-C4' energy: -20.590
flat angles P-C4'-P energy: -14.191
tors. eta vs tors. theta energy: -22.917
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 135
Temperature: 0.950000
Total energy: -282.380847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.380847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.380847 (E_RNA)
where:
Base-Base interactions energy: -188.634
where: short stacking energy: -90.764
Base-Backbone interact. energy: 0.580
local terms energy: -94.326247
where:
bonds (distance) C4'-P energy: -21.628
bonds (distance) P-C4' energy: -20.189
flat angles C4'-P-C4' energy: -20.824
flat angles P-C4'-P energy: -11.784
tors. eta vs tors. theta energy: -19.901
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 135
Temperature: 1.000000
Total energy: -269.714235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.714235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.714235 (E_RNA)
where:
Base-Base interactions energy: -182.539
where: short stacking energy: -71.541
Base-Backbone interact. energy: -1.192
local terms energy: -85.983238
where:
bonds (distance) C4'-P energy: -16.192
bonds (distance) P-C4' energy: -21.806
flat angles C4'-P-C4' energy: -18.140
flat angles P-C4'-P energy: -12.813
tors. eta vs tors. theta energy: -17.032
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 135
Temperature: 1.050000
Total energy: -266.266382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.266382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.266382 (E_RNA)
where:
Base-Base interactions energy: -182.921
where: short stacking energy: -74.981
Base-Backbone interact. energy: -0.266
local terms energy: -83.079671
where:
bonds (distance) C4'-P energy: -16.143
bonds (distance) P-C4' energy: -20.339
flat angles C4'-P-C4' energy: -19.681
flat angles P-C4'-P energy: -10.438
tors. eta vs tors. theta energy: -16.479
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 135
Temperature: 1.100000
Total energy: -262.652935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.652935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.652935 (E_RNA)
where:
Base-Base interactions energy: -179.992
where: short stacking energy: -81.413
Base-Backbone interact. energy: -0.265
local terms energy: -82.396001
where:
bonds (distance) C4'-P energy: -12.426
bonds (distance) P-C4' energy: -20.528
flat angles C4'-P-C4' energy: -18.411
flat angles P-C4'-P energy: -16.738
tors. eta vs tors. theta energy: -14.292
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 135
Temperature: 1.150000
Total energy: -228.764663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.764663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.764663 (E_RNA)
where:
Base-Base interactions energy: -145.761
where: short stacking energy: -75.585
Base-Backbone interact. energy: -0.023
local terms energy: -82.980321
where:
bonds (distance) C4'-P energy: -15.134
bonds (distance) P-C4' energy: -11.631
flat angles C4'-P-C4' energy: -20.218
flat angles P-C4'-P energy: -13.967
tors. eta vs tors. theta energy: -22.031
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 135
Temperature: 1.200000
Total energy: -236.463487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.463487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.463487 (E_RNA)
where:
Base-Base interactions energy: -155.780
where: short stacking energy: -68.798
Base-Backbone interact. energy: -0.001
local terms energy: -80.682318
where:
bonds (distance) C4'-P energy: -11.970
bonds (distance) P-C4' energy: -18.602
flat angles C4'-P-C4' energy: -18.188
flat angles P-C4'-P energy: -16.356
tors. eta vs tors. theta energy: -15.566
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 135
Temperature: 1.250000
Total energy: -240.665602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.665602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.665602 (E_RNA)
where:
Base-Base interactions energy: -159.572
where: short stacking energy: -59.002
Base-Backbone interact. energy: -0.519
local terms energy: -80.574528
where:
bonds (distance) C4'-P energy: -20.805
bonds (distance) P-C4' energy: -22.199
flat angles C4'-P-C4' energy: -13.821
flat angles P-C4'-P energy: -10.827
tors. eta vs tors. theta energy: -12.922
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 135
Temperature: 1.300000
Total energy: -103.592533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.592533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.592533 (E_RNA)
where:
Base-Base interactions energy: -42.441
where: short stacking energy: -42.441
Base-Backbone interact. energy: -0.086
local terms energy: -61.066225
where:
bonds (distance) C4'-P energy: -16.142
bonds (distance) P-C4' energy: -16.467
flat angles C4'-P-C4' energy: -17.635
flat angles P-C4'-P energy: -6.187
tors. eta vs tors. theta energy: -4.635
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 135
Temperature: 1.350000
Total energy: -95.197372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.197372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.197372 (E_RNA)
where:
Base-Base interactions energy: -42.527
where: short stacking energy: -31.330
Base-Backbone interact. energy: 0.603
local terms energy: -53.273478
where:
bonds (distance) C4'-P energy: -18.410
bonds (distance) P-C4' energy: -17.183
flat angles C4'-P-C4' energy: -13.535
flat angles P-C4'-P energy: -3.300
tors. eta vs tors. theta energy: -0.846
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 136
Temperature: 0.900000
Total energy: -337.438782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.438782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.438782 (E_RNA)
where:
Base-Base interactions energy: -238.311
where: short stacking energy: -92.630
Base-Backbone interact. energy: -0.930
local terms energy: -98.197774
where:
bonds (distance) C4'-P energy: -22.346
bonds (distance) P-C4' energy: -18.307
flat angles C4'-P-C4' energy: -19.138
flat angles P-C4'-P energy: -14.038
tors. eta vs tors. theta energy: -24.369
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 136
Temperature: 0.950000
Total energy: -280.631088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.631088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.631088 (E_RNA)
where:
Base-Base interactions energy: -182.698
where: short stacking energy: -90.204
Base-Backbone interact. energy: -0.242
local terms energy: -97.690744
where:
bonds (distance) C4'-P energy: -19.284
bonds (distance) P-C4' energy: -23.970
flat angles C4'-P-C4' energy: -20.457
flat angles P-C4'-P energy: -11.926
tors. eta vs tors. theta energy: -22.053
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 136
Temperature: 1.000000
Total energy: -292.457945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.457945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.457945 (E_RNA)
where:
Base-Base interactions energy: -202.769
where: short stacking energy: -90.149
Base-Backbone interact. energy: -0.774
local terms energy: -88.914981
where:
bonds (distance) C4'-P energy: -21.821
bonds (distance) P-C4' energy: -15.820
flat angles C4'-P-C4' energy: -19.612
flat angles P-C4'-P energy: -10.434
tors. eta vs tors. theta energy: -21.227
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 136
Temperature: 1.050000
Total energy: -260.622079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.622079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.622079 (E_RNA)
where:
Base-Base interactions energy: -173.326
where: short stacking energy: -81.719
Base-Backbone interact. energy: -0.313
local terms energy: -86.983070
where:
bonds (distance) C4'-P energy: -16.117
bonds (distance) P-C4' energy: -19.553
flat angles C4'-P-C4' energy: -20.136
flat angles P-C4'-P energy: -12.992
tors. eta vs tors. theta energy: -18.186
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 136
Temperature: 1.100000
Total energy: -262.000333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.000333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.000333 (E_RNA)
where:
Base-Base interactions energy: -166.116
where: short stacking energy: -77.463
Base-Backbone interact. energy: -0.157
local terms energy: -95.727315
where:
bonds (distance) C4'-P energy: -21.309
bonds (distance) P-C4' energy: -21.753
flat angles C4'-P-C4' energy: -20.255
flat angles P-C4'-P energy: -13.579
tors. eta vs tors. theta energy: -18.831
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 136
Temperature: 1.150000
Total energy: -228.488456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.488456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.488456 (E_RNA)
where:
Base-Base interactions energy: -139.186
where: short stacking energy: -69.613
Base-Backbone interact. energy: -0.777
local terms energy: -88.525487
where:
bonds (distance) C4'-P energy: -13.646
bonds (distance) P-C4' energy: -20.368
flat angles C4'-P-C4' energy: -19.141
flat angles P-C4'-P energy: -14.463
tors. eta vs tors. theta energy: -20.907
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 136
Temperature: 1.200000
Total energy: -231.993480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.993480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.993480 (E_RNA)
where:
Base-Base interactions energy: -159.312
where: short stacking energy: -72.372
Base-Backbone interact. energy: -0.259
local terms energy: -72.422879
where:
bonds (distance) C4'-P energy: -11.425
bonds (distance) P-C4' energy: -15.794
flat angles C4'-P-C4' energy: -20.198
flat angles P-C4'-P energy: -11.367
tors. eta vs tors. theta energy: -13.638
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 136
Temperature: 1.250000
Total energy: -238.163397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.163397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.163397 (E_RNA)
where:
Base-Base interactions energy: -158.995
where: short stacking energy: -66.399
Base-Backbone interact. energy: -0.745
local terms energy: -78.423217
where:
bonds (distance) C4'-P energy: -10.963
bonds (distance) P-C4' energy: -18.718
flat angles C4'-P-C4' energy: -18.803
flat angles P-C4'-P energy: -12.444
tors. eta vs tors. theta energy: -17.494
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 136
Temperature: 1.300000
Total energy: -157.362922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.362922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.362922 (E_RNA)
where:
Base-Base interactions energy: -104.227
where: short stacking energy: -49.794
Base-Backbone interact. energy: -0.404
local terms energy: -52.731750
where:
bonds (distance) C4'-P energy: -12.537
bonds (distance) P-C4' energy: -18.475
flat angles C4'-P-C4' energy: -16.274
flat angles P-C4'-P energy: 0.999
tors. eta vs tors. theta energy: -6.445
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 136
Temperature: 1.350000
Total energy: -109.737261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.737261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.737261 (E_RNA)
where:
Base-Base interactions energy: -37.263
where: short stacking energy: -37.263
Base-Backbone interact. energy: 0.448
local terms energy: -72.922534
where:
bonds (distance) C4'-P energy: -19.256
bonds (distance) P-C4' energy: -18.126
flat angles C4'-P-C4' energy: -15.444
flat angles P-C4'-P energy: -12.060
tors. eta vs tors. theta energy: -8.036
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 137
Temperature: 0.900000
Total energy: -341.070548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.070548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.070548 (E_RNA)
where:
Base-Base interactions energy: -241.069
where: short stacking energy: -98.480
Base-Backbone interact. energy: -1.178
local terms energy: -98.823647
where:
bonds (distance) C4'-P energy: -18.541
bonds (distance) P-C4' energy: -21.876
flat angles C4'-P-C4' energy: -19.775
flat angles P-C4'-P energy: -16.737
tors. eta vs tors. theta energy: -21.895
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 137
Temperature: 0.950000
Total energy: -300.575665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.575665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.575665 (E_RNA)
where:
Base-Base interactions energy: -194.396
where: short stacking energy: -91.224
Base-Backbone interact. energy: -1.428
local terms energy: -104.752040
where:
bonds (distance) C4'-P energy: -20.494
bonds (distance) P-C4' energy: -20.446
flat angles C4'-P-C4' energy: -21.611
flat angles P-C4'-P energy: -15.149
tors. eta vs tors. theta energy: -27.052
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 137
Temperature: 1.000000
Total energy: -286.670612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.670612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.670612 (E_RNA)
where:
Base-Base interactions energy: -209.953
where: short stacking energy: -88.823
Base-Backbone interact. energy: -0.305
local terms energy: -76.412447
where:
bonds (distance) C4'-P energy: -13.599
bonds (distance) P-C4' energy: -22.169
flat angles C4'-P-C4' energy: -17.417
flat angles P-C4'-P energy: -2.141
tors. eta vs tors. theta energy: -21.087
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 137
Temperature: 1.050000
Total energy: -267.323188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.323188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.323188 (E_RNA)
where:
Base-Base interactions energy: -177.761
where: short stacking energy: -82.043
Base-Backbone interact. energy: 0.242
local terms energy: -89.804165
where:
bonds (distance) C4'-P energy: -19.212
bonds (distance) P-C4' energy: -19.330
flat angles C4'-P-C4' energy: -22.233
flat angles P-C4'-P energy: -10.796
tors. eta vs tors. theta energy: -18.233
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 137
Temperature: 1.100000
Total energy: -264.718043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.718043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.718043 (E_RNA)
where:
Base-Base interactions energy: -188.243
where: short stacking energy: -75.697
Base-Backbone interact. energy: 0.006
local terms energy: -76.480459
where:
bonds (distance) C4'-P energy: -18.860
bonds (distance) P-C4' energy: -16.164
flat angles C4'-P-C4' energy: -17.515
flat angles P-C4'-P energy: -9.916
tors. eta vs tors. theta energy: -14.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 137
Temperature: 1.150000
Total energy: -246.703576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.703576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.703576 (E_RNA)
where:
Base-Base interactions energy: -165.244
where: short stacking energy: -72.187
Base-Backbone interact. energy: -0.291
local terms energy: -81.168631
where:
bonds (distance) C4'-P energy: -16.409
bonds (distance) P-C4' energy: -23.544
flat angles C4'-P-C4' energy: -18.404
flat angles P-C4'-P energy: -4.071
tors. eta vs tors. theta energy: -18.740
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 137
Temperature: 1.200000
Total energy: -236.054694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.054694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.054694 (E_RNA)
where:
Base-Base interactions energy: -164.840
where: short stacking energy: -75.545
Base-Backbone interact. energy: -0.355
local terms energy: -70.858980
where:
bonds (distance) C4'-P energy: -14.359
bonds (distance) P-C4' energy: -21.525
flat angles C4'-P-C4' energy: -17.192
flat angles P-C4'-P energy: -2.449
tors. eta vs tors. theta energy: -15.334
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 137
Temperature: 1.250000
Total energy: -229.146829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.146829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.146829 (E_RNA)
where:
Base-Base interactions energy: -153.913
where: short stacking energy: -57.207
Base-Backbone interact. energy: 0.180
local terms energy: -75.413757
where:
bonds (distance) C4'-P energy: -17.102
bonds (distance) P-C4' energy: -12.414
flat angles C4'-P-C4' energy: -19.591
flat angles P-C4'-P energy: -10.682
tors. eta vs tors. theta energy: -15.626
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 137
Temperature: 1.300000
Total energy: -197.108049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.108049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.108049 (E_RNA)
where:
Base-Base interactions energy: -134.129
where: short stacking energy: -60.027
Base-Backbone interact. energy: -0.264
local terms energy: -62.714689
where:
bonds (distance) C4'-P energy: -11.594
bonds (distance) P-C4' energy: -12.920
flat angles C4'-P-C4' energy: -15.892
flat angles P-C4'-P energy: -11.397
tors. eta vs tors. theta energy: -10.911
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 137
Temperature: 1.350000
Total energy: -110.580557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.580557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.580557 (E_RNA)
where:
Base-Base interactions energy: -64.804
where: short stacking energy: -31.647
Base-Backbone interact. energy: -0.611
local terms energy: -45.165275
where:
bonds (distance) C4'-P energy: -21.024
bonds (distance) P-C4' energy: -13.740
flat angles C4'-P-C4' energy: -9.588
flat angles P-C4'-P energy: -5.645
tors. eta vs tors. theta energy: 4.832
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 138
Temperature: 0.900000
Total energy: -342.031840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.031840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.031840 (E_RNA)
where:
Base-Base interactions energy: -248.695
where: short stacking energy: -99.867
Base-Backbone interact. energy: -1.055
local terms energy: -92.281318
where:
bonds (distance) C4'-P energy: -16.227
bonds (distance) P-C4' energy: -18.773
flat angles C4'-P-C4' energy: -17.975
flat angles P-C4'-P energy: -12.726
tors. eta vs tors. theta energy: -26.580
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 138
Temperature: 0.950000
Total energy: -285.108244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.108244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.108244 (E_RNA)
where:
Base-Base interactions energy: -197.282
where: short stacking energy: -84.590
Base-Backbone interact. energy: -0.960
local terms energy: -86.866750
where:
bonds (distance) C4'-P energy: -17.865
bonds (distance) P-C4' energy: -19.468
flat angles C4'-P-C4' energy: -15.001
flat angles P-C4'-P energy: -12.941
tors. eta vs tors. theta energy: -21.591
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 138
Temperature: 1.000000
Total energy: -261.388955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.388955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.388955 (E_RNA)
where:
Base-Base interactions energy: -175.879
where: short stacking energy: -73.916
Base-Backbone interact. energy: -0.314
local terms energy: -85.196075
where:
bonds (distance) C4'-P energy: -21.367
bonds (distance) P-C4' energy: -19.348
flat angles C4'-P-C4' energy: -17.810
flat angles P-C4'-P energy: -12.857
tors. eta vs tors. theta energy: -13.813
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 138
Temperature: 1.050000
Total energy: -279.692524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.692524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.692524 (E_RNA)
where:
Base-Base interactions energy: -186.871
where: short stacking energy: -81.140
Base-Backbone interact. energy: -0.449
local terms energy: -92.372224
where:
bonds (distance) C4'-P energy: -17.205
bonds (distance) P-C4' energy: -20.266
flat angles C4'-P-C4' energy: -20.463
flat angles P-C4'-P energy: -11.744
tors. eta vs tors. theta energy: -22.693
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 138
Temperature: 1.100000
Total energy: -263.906578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.906578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.906578 (E_RNA)
where:
Base-Base interactions energy: -165.619
where: short stacking energy: -67.225
Base-Backbone interact. energy: -1.059
local terms energy: -97.229159
where:
bonds (distance) C4'-P energy: -21.116
bonds (distance) P-C4' energy: -23.424
flat angles C4'-P-C4' energy: -20.992
flat angles P-C4'-P energy: -13.148
tors. eta vs tors. theta energy: -18.549
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 138
Temperature: 1.150000
Total energy: -236.215376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.215376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.215376 (E_RNA)
where:
Base-Base interactions energy: -159.062
where: short stacking energy: -71.517
Base-Backbone interact. energy: 0.342
local terms energy: -77.495253
where:
bonds (distance) C4'-P energy: -17.500
bonds (distance) P-C4' energy: -17.223
flat angles C4'-P-C4' energy: -18.316
flat angles P-C4'-P energy: -6.347
tors. eta vs tors. theta energy: -18.109
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 138
Temperature: 1.200000
Total energy: -233.323574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.323574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.323574 (E_RNA)
where:
Base-Base interactions energy: -157.630
where: short stacking energy: -61.950
Base-Backbone interact. energy: -0.910
local terms energy: -74.783556
where:
bonds (distance) C4'-P energy: -14.951
bonds (distance) P-C4' energy: -16.710
flat angles C4'-P-C4' energy: -21.872
flat angles P-C4'-P energy: -13.684
tors. eta vs tors. theta energy: -7.567
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 138
Temperature: 1.250000
Total energy: -231.100558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.100558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.100558 (E_RNA)
where:
Base-Base interactions energy: -144.818
where: short stacking energy: -65.830
Base-Backbone interact. energy: -0.194
local terms energy: -86.088323
where:
bonds (distance) C4'-P energy: -20.778
bonds (distance) P-C4' energy: -21.430
flat angles C4'-P-C4' energy: -16.553
flat angles P-C4'-P energy: -10.318
tors. eta vs tors. theta energy: -17.009
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 138
Temperature: 1.300000
Total energy: -171.369496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.369496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.369496 (E_RNA)
where:
Base-Base interactions energy: -96.242
where: short stacking energy: -59.175
Base-Backbone interact. energy: -0.678
local terms energy: -74.450221
where:
bonds (distance) C4'-P energy: -17.120
bonds (distance) P-C4' energy: -15.042
flat angles C4'-P-C4' energy: -18.128
flat angles P-C4'-P energy: -9.536
tors. eta vs tors. theta energy: -14.624
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 138
Temperature: 1.350000
Total energy: -102.369812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.369812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.369812 (E_RNA)
where:
Base-Base interactions energy: -42.721
where: short stacking energy: -38.729
Base-Backbone interact. energy: -0.274
local terms energy: -59.375319
where:
bonds (distance) C4'-P energy: -19.941
bonds (distance) P-C4' energy: -15.345
flat angles C4'-P-C4' energy: -15.250
flat angles P-C4'-P energy: -5.901
tors. eta vs tors. theta energy: -2.938
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 139
Temperature: 0.900000
Total energy: -332.186003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.186003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.186003 (E_RNA)
where:
Base-Base interactions energy: -238.173
where: short stacking energy: -98.066
Base-Backbone interact. energy: -0.712
local terms energy: -93.301489
where:
bonds (distance) C4'-P energy: -18.655
bonds (distance) P-C4' energy: -18.272
flat angles C4'-P-C4' energy: -24.041
flat angles P-C4'-P energy: -11.407
tors. eta vs tors. theta energy: -20.927
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 139
Temperature: 0.950000
Total energy: -285.271722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.271722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.271722 (E_RNA)
where:
Base-Base interactions energy: -185.584
where: short stacking energy: -86.006
Base-Backbone interact. energy: -0.233
local terms energy: -99.455312
where:
bonds (distance) C4'-P energy: -19.786
bonds (distance) P-C4' energy: -21.838
flat angles C4'-P-C4' energy: -18.828
flat angles P-C4'-P energy: -13.739
tors. eta vs tors. theta energy: -25.264
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 139
Temperature: 1.000000
Total energy: -275.558039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.558039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.558039 (E_RNA)
where:
Base-Base interactions energy: -190.793
where: short stacking energy: -81.413
Base-Backbone interact. energy: -0.839
local terms energy: -83.925460
where:
bonds (distance) C4'-P energy: -14.545
bonds (distance) P-C4' energy: -18.420
flat angles C4'-P-C4' energy: -18.199
flat angles P-C4'-P energy: -11.964
tors. eta vs tors. theta energy: -20.798
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 139
Temperature: 1.050000
Total energy: -273.821602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.821602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.821602 (E_RNA)
where:
Base-Base interactions energy: -179.003
where: short stacking energy: -90.274
Base-Backbone interact. energy: -1.517
local terms energy: -93.301034
where:
bonds (distance) C4'-P energy: -20.294
bonds (distance) P-C4' energy: -19.443
flat angles C4'-P-C4' energy: -16.695
flat angles P-C4'-P energy: -11.815
tors. eta vs tors. theta energy: -25.054
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 139
Temperature: 1.100000
Total energy: -272.235511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.235511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.235511 (E_RNA)
where:
Base-Base interactions energy: -178.727
where: short stacking energy: -87.680
Base-Backbone interact. energy: -0.029
local terms energy: -93.479990
where:
bonds (distance) C4'-P energy: -18.704
bonds (distance) P-C4' energy: -12.130
flat angles C4'-P-C4' energy: -22.356
flat angles P-C4'-P energy: -14.250
tors. eta vs tors. theta energy: -26.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 139
Temperature: 1.150000
Total energy: -255.931455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.931455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.931455 (E_RNA)
where:
Base-Base interactions energy: -178.818
where: short stacking energy: -70.769
Base-Backbone interact. energy: -0.756
local terms energy: -76.357836
where:
bonds (distance) C4'-P energy: -18.138
bonds (distance) P-C4' energy: -14.858
flat angles C4'-P-C4' energy: -14.597
flat angles P-C4'-P energy: -17.435
tors. eta vs tors. theta energy: -11.331
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 139
Temperature: 1.200000
Total energy: -226.813991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.813991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.813991 (E_RNA)
where:
Base-Base interactions energy: -145.788
where: short stacking energy: -67.383
Base-Backbone interact. energy: 3.448
local terms energy: -84.473473
where:
bonds (distance) C4'-P energy: -16.323
bonds (distance) P-C4' energy: -17.067
flat angles C4'-P-C4' energy: -23.193
flat angles P-C4'-P energy: -14.106
tors. eta vs tors. theta energy: -13.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 139
Temperature: 1.250000
Total energy: -218.565498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.565498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.565498 (E_RNA)
where:
Base-Base interactions energy: -145.353
where: short stacking energy: -71.404
Base-Backbone interact. energy: -0.105
local terms energy: -73.107031
where:
bonds (distance) C4'-P energy: -13.805
bonds (distance) P-C4' energy: -15.527
flat angles C4'-P-C4' energy: -20.496
flat angles P-C4'-P energy: -4.452
tors. eta vs tors. theta energy: -18.828
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 139
Temperature: 1.300000
Total energy: -116.892700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.892700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.892700 (E_RNA)
where:
Base-Base interactions energy: -50.711
where: short stacking energy: -50.711
Base-Backbone interact. energy: -0.168
local terms energy: -66.014375
where:
bonds (distance) C4'-P energy: -18.464
bonds (distance) P-C4' energy: -13.984
flat angles C4'-P-C4' energy: -13.069
flat angles P-C4'-P energy: -10.373
tors. eta vs tors. theta energy: -10.125
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 139
Temperature: 1.350000
Total energy: -112.016248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.016248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.016248 (E_RNA)
where:
Base-Base interactions energy: -51.204
where: short stacking energy: -39.420
Base-Backbone interact. energy: -0.315
local terms energy: -60.497618
where:
bonds (distance) C4'-P energy: -8.906
bonds (distance) P-C4' energy: -23.491
flat angles C4'-P-C4' energy: -14.778
flat angles P-C4'-P energy: -7.197
tors. eta vs tors. theta energy: -6.126
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 140
Temperature: 0.900000
Total energy: -343.372527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.372527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.372527 (E_RNA)
where:
Base-Base interactions energy: -249.267
where: short stacking energy: -99.826
Base-Backbone interact. energy: -0.831
local terms energy: -93.275144
where:
bonds (distance) C4'-P energy: -16.636
bonds (distance) P-C4' energy: -18.557
flat angles C4'-P-C4' energy: -21.192
flat angles P-C4'-P energy: -14.978
tors. eta vs tors. theta energy: -21.912
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 140
Temperature: 0.950000
Total energy: -270.380394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.380394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.380394 (E_RNA)
where:
Base-Base interactions energy: -178.039
where: short stacking energy: -84.363
Base-Backbone interact. energy: -1.049
local terms energy: -91.293056
where:
bonds (distance) C4'-P energy: -15.870
bonds (distance) P-C4' energy: -18.946
flat angles C4'-P-C4' energy: -22.283
flat angles P-C4'-P energy: -12.906
tors. eta vs tors. theta energy: -21.288
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 140
Temperature: 1.000000
Total energy: -280.879161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.879161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.879161 (E_RNA)
where:
Base-Base interactions energy: -191.286
where: short stacking energy: -91.178
Base-Backbone interact. energy: 0.175
local terms energy: -89.767772
where:
bonds (distance) C4'-P energy: -17.182
bonds (distance) P-C4' energy: -18.084
flat angles C4'-P-C4' energy: -14.176
flat angles P-C4'-P energy: -14.326
tors. eta vs tors. theta energy: -25.999
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 140
Temperature: 1.050000
Total energy: -279.203951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.203951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.203951 (E_RNA)
where:
Base-Base interactions energy: -183.144
where: short stacking energy: -88.161
Base-Backbone interact. energy: -2.306
local terms energy: -93.753719
where:
bonds (distance) C4'-P energy: -13.861
bonds (distance) P-C4' energy: -22.365
flat angles C4'-P-C4' energy: -20.794
flat angles P-C4'-P energy: -9.948
tors. eta vs tors. theta energy: -26.785
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 140
Temperature: 1.100000
Total energy: -260.641593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.641593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.641593 (E_RNA)
where:
Base-Base interactions energy: -173.470
where: short stacking energy: -82.306
Base-Backbone interact. energy: -0.378
local terms energy: -86.793728
where:
bonds (distance) C4'-P energy: -20.920
bonds (distance) P-C4' energy: -21.204
flat angles C4'-P-C4' energy: -15.833
flat angles P-C4'-P energy: -10.560
tors. eta vs tors. theta energy: -18.277
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 140
Temperature: 1.150000
Total energy: -275.976116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.976116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.976116 (E_RNA)
where:
Base-Base interactions energy: -190.475
where: short stacking energy: -87.119
Base-Backbone interact. energy: 0.279
local terms energy: -85.780232
where:
bonds (distance) C4'-P energy: -18.341
bonds (distance) P-C4' energy: -15.196
flat angles C4'-P-C4' energy: -15.468
flat angles P-C4'-P energy: -12.914
tors. eta vs tors. theta energy: -23.861
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 140
Temperature: 1.200000
Total energy: -231.680836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.680836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.680836 (E_RNA)
where:
Base-Base interactions energy: -142.277
where: short stacking energy: -69.887
Base-Backbone interact. energy: -0.885
local terms energy: -88.518917
where:
bonds (distance) C4'-P energy: -18.527
bonds (distance) P-C4' energy: -23.290
flat angles C4'-P-C4' energy: -16.143
flat angles P-C4'-P energy: -11.575
tors. eta vs tors. theta energy: -18.984
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 140
Temperature: 1.250000
Total energy: -219.750928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.750928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.750928 (E_RNA)
where:
Base-Base interactions energy: -144.617
where: short stacking energy: -76.832
Base-Backbone interact. energy: -0.137
local terms energy: -74.996904
where:
bonds (distance) C4'-P energy: -13.289
bonds (distance) P-C4' energy: -19.572
flat angles C4'-P-C4' energy: -15.850
flat angles P-C4'-P energy: -10.771
tors. eta vs tors. theta energy: -15.516
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 140
Temperature: 1.300000
Total energy: -105.983618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.983618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.983618 (E_RNA)
where:
Base-Base interactions energy: -48.634
where: short stacking energy: -43.138
Base-Backbone interact. energy: -0.540
local terms energy: -56.809738
where:
bonds (distance) C4'-P energy: -16.192
bonds (distance) P-C4' energy: -17.331
flat angles C4'-P-C4' energy: -18.236
flat angles P-C4'-P energy: -8.511
tors. eta vs tors. theta energy: 3.461
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 140
Temperature: 1.350000
Total energy: -99.521960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.521960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.521960 (E_RNA)
where:
Base-Base interactions energy: -40.765
where: short stacking energy: -31.884
Base-Backbone interact. energy: -0.233
local terms energy: -58.524697
where:
bonds (distance) C4'-P energy: -16.147
bonds (distance) P-C4' energy: -15.509
flat angles C4'-P-C4' energy: -14.349
flat angles P-C4'-P energy: -9.532
tors. eta vs tors. theta energy: -2.987
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 141
Temperature: 0.900000
Total energy: -335.111500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.111500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.111500 (E_RNA)
where:
Base-Base interactions energy: -238.041
where: short stacking energy: -91.124
Base-Backbone interact. energy: -0.994
local terms energy: -96.076411
where:
bonds (distance) C4'-P energy: -19.098
bonds (distance) P-C4' energy: -19.400
flat angles C4'-P-C4' energy: -20.842
flat angles P-C4'-P energy: -17.978
tors. eta vs tors. theta energy: -18.759
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 141
Temperature: 0.950000
Total energy: -302.762754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.762754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.762754 (E_RNA)
where:
Base-Base interactions energy: -201.121
where: short stacking energy: -98.248
Base-Backbone interact. energy: -1.245
local terms energy: -100.396645
where:
bonds (distance) C4'-P energy: -17.558
bonds (distance) P-C4' energy: -22.151
flat angles C4'-P-C4' energy: -18.877
flat angles P-C4'-P energy: -12.750
tors. eta vs tors. theta energy: -29.061
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 141
Temperature: 1.000000
Total energy: -274.693344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.693344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.693344 (E_RNA)
where:
Base-Base interactions energy: -183.790
where: short stacking energy: -68.793
Base-Backbone interact. energy: 0.034
local terms energy: -90.937294
where:
bonds (distance) C4'-P energy: -20.241
bonds (distance) P-C4' energy: -20.642
flat angles C4'-P-C4' energy: -16.488
flat angles P-C4'-P energy: -16.390
tors. eta vs tors. theta energy: -17.177
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 141
Temperature: 1.050000
Total energy: -272.810963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.810963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.810963 (E_RNA)
where:
Base-Base interactions energy: -183.967
where: short stacking energy: -81.469
Base-Backbone interact. energy: -0.288
local terms energy: -88.556423
where:
bonds (distance) C4'-P energy: -15.530
bonds (distance) P-C4' energy: -18.413
flat angles C4'-P-C4' energy: -21.576
flat angles P-C4'-P energy: -15.389
tors. eta vs tors. theta energy: -17.648
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 141
Temperature: 1.100000
Total energy: -277.516081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.516081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.516081 (E_RNA)
where:
Base-Base interactions energy: -186.945
where: short stacking energy: -88.281
Base-Backbone interact. energy: -1.366
local terms energy: -89.204893
where:
bonds (distance) C4'-P energy: -11.712
bonds (distance) P-C4' energy: -22.127
flat angles C4'-P-C4' energy: -14.809
flat angles P-C4'-P energy: -13.547
tors. eta vs tors. theta energy: -27.010
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 141
Temperature: 1.150000
Total energy: -241.270257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.270257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.270257 (E_RNA)
where:
Base-Base interactions energy: -157.887
where: short stacking energy: -77.293
Base-Backbone interact. energy: 0.669
local terms energy: -84.052560
where:
bonds (distance) C4'-P energy: -19.935
bonds (distance) P-C4' energy: -14.846
flat angles C4'-P-C4' energy: -20.761
flat angles P-C4'-P energy: -11.932
tors. eta vs tors. theta energy: -16.578
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 141
Temperature: 1.200000
Total energy: -231.571248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.571248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.571248 (E_RNA)
where:
Base-Base interactions energy: -155.155
where: short stacking energy: -83.004
Base-Backbone interact. energy: -0.131
local terms energy: -76.285223
where:
bonds (distance) C4'-P energy: -11.288
bonds (distance) P-C4' energy: -17.568
flat angles C4'-P-C4' energy: -18.216
flat angles P-C4'-P energy: -14.378
tors. eta vs tors. theta energy: -14.835
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 141
Temperature: 1.250000
Total energy: -223.046779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.046779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.046779 (E_RNA)
where:
Base-Base interactions energy: -138.620
where: short stacking energy: -73.861
Base-Backbone interact. energy: -0.510
local terms energy: -83.916090
where:
bonds (distance) C4'-P energy: -18.568
bonds (distance) P-C4' energy: -18.695
flat angles C4'-P-C4' energy: -19.775
flat angles P-C4'-P energy: -10.806
tors. eta vs tors. theta energy: -16.072
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 141
Temperature: 1.300000
Total energy: -147.129189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.129189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.129189 (E_RNA)
where:
Base-Base interactions energy: -90.266
where: short stacking energy: -48.975
Base-Backbone interact. energy: -0.122
local terms energy: -56.740435
where:
bonds (distance) C4'-P energy: -17.981
bonds (distance) P-C4' energy: -13.719
flat angles C4'-P-C4' energy: -14.084
flat angles P-C4'-P energy: -5.410
tors. eta vs tors. theta energy: -5.547
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 141
Temperature: 1.350000
Total energy: -106.980336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.980336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.980336 (E_RNA)
where:
Base-Base interactions energy: -43.328
where: short stacking energy: -32.813
Base-Backbone interact. energy: -1.254
local terms energy: -62.398706
where:
bonds (distance) C4'-P energy: -15.152
bonds (distance) P-C4' energy: -14.694
flat angles C4'-P-C4' energy: -16.613
flat angles P-C4'-P energy: -11.032
tors. eta vs tors. theta energy: -4.907
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 142
Temperature: 0.900000
Total energy: -339.107423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.107423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.107423 (E_RNA)
where:
Base-Base interactions energy: -241.600
where: short stacking energy: -95.658
Base-Backbone interact. energy: -0.363
local terms energy: -97.144405
where:
bonds (distance) C4'-P energy: -20.160
bonds (distance) P-C4' energy: -17.987
flat angles C4'-P-C4' energy: -18.814
flat angles P-C4'-P energy: -13.386
tors. eta vs tors. theta energy: -26.798
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 142
Temperature: 0.950000
Total energy: -303.853281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.853281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.853281 (E_RNA)
where:
Base-Base interactions energy: -196.355
where: short stacking energy: -99.812
Base-Backbone interact. energy: -1.084
local terms energy: -106.414617
where:
bonds (distance) C4'-P energy: -20.531
bonds (distance) P-C4' energy: -22.829
flat angles C4'-P-C4' energy: -23.119
flat angles P-C4'-P energy: -14.186
tors. eta vs tors. theta energy: -25.750
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 142
Temperature: 1.000000
Total energy: -272.243033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.243033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.243033 (E_RNA)
where:
Base-Base interactions energy: -179.303
where: short stacking energy: -83.764
Base-Backbone interact. energy: -0.131
local terms energy: -92.809110
where:
bonds (distance) C4'-P energy: -19.535
bonds (distance) P-C4' energy: -18.146
flat angles C4'-P-C4' energy: -19.634
flat angles P-C4'-P energy: -17.117
tors. eta vs tors. theta energy: -18.378
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 142
Temperature: 1.050000
Total energy: -275.193798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.193798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.193798 (E_RNA)
where:
Base-Base interactions energy: -177.011
where: short stacking energy: -91.086
Base-Backbone interact. energy: -0.866
local terms energy: -97.316314
where:
bonds (distance) C4'-P energy: -18.908
bonds (distance) P-C4' energy: -21.945
flat angles C4'-P-C4' energy: -19.218
flat angles P-C4'-P energy: -13.505
tors. eta vs tors. theta energy: -23.741
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 142
Temperature: 1.100000
Total energy: -233.038613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.038613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.038613 (E_RNA)
where:
Base-Base interactions energy: -153.210
where: short stacking energy: -80.154
Base-Backbone interact. energy: 0.327
local terms energy: -80.155623
where:
bonds (distance) C4'-P energy: -18.858
bonds (distance) P-C4' energy: -17.037
flat angles C4'-P-C4' energy: -17.693
flat angles P-C4'-P energy: -9.288
tors. eta vs tors. theta energy: -17.279
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 142
Temperature: 1.150000
Total energy: -264.207370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.207370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.207370 (E_RNA)
where:
Base-Base interactions energy: -173.317
where: short stacking energy: -81.328
Base-Backbone interact. energy: -0.820
local terms energy: -90.070222
where:
bonds (distance) C4'-P energy: -15.104
bonds (distance) P-C4' energy: -19.017
flat angles C4'-P-C4' energy: -20.615
flat angles P-C4'-P energy: -10.635
tors. eta vs tors. theta energy: -24.699
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 142
Temperature: 1.200000
Total energy: -215.450377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.450377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.450377 (E_RNA)
where:
Base-Base interactions energy: -138.337
where: short stacking energy: -68.732
Base-Backbone interact. energy: -0.698
local terms energy: -76.415426
where:
bonds (distance) C4'-P energy: -15.683
bonds (distance) P-C4' energy: -18.430
flat angles C4'-P-C4' energy: -18.800
flat angles P-C4'-P energy: -13.961
tors. eta vs tors. theta energy: -9.541
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 142
Temperature: 1.250000
Total energy: -236.284562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.284562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.284562 (E_RNA)
where:
Base-Base interactions energy: -158.055
where: short stacking energy: -70.093
Base-Backbone interact. energy: -0.047
local terms energy: -78.182554
where:
bonds (distance) C4'-P energy: -15.981
bonds (distance) P-C4' energy: -20.084
flat angles C4'-P-C4' energy: -14.478
flat angles P-C4'-P energy: -12.382
tors. eta vs tors. theta energy: -15.258
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 142
Temperature: 1.300000
Total energy: -184.820399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.820399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.820399 (E_RNA)
where:
Base-Base interactions energy: -110.270
where: short stacking energy: -69.682
Base-Backbone interact. energy: -0.512
local terms energy: -74.038243
where:
bonds (distance) C4'-P energy: -14.550
bonds (distance) P-C4' energy: -21.078
flat angles C4'-P-C4' energy: -16.966
flat angles P-C4'-P energy: -8.274
tors. eta vs tors. theta energy: -13.171
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 142
Temperature: 1.350000
Total energy: -109.510433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.510433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.510433 (E_RNA)
where:
Base-Base interactions energy: -54.197
where: short stacking energy: -45.514
Base-Backbone interact. energy: -0.363
local terms energy: -54.950547
where:
bonds (distance) C4'-P energy: -19.307
bonds (distance) P-C4' energy: -16.610
flat angles C4'-P-C4' energy: -8.856
flat angles P-C4'-P energy: -9.276
tors. eta vs tors. theta energy: -0.902
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 143
Temperature: 0.900000
Total energy: -333.110704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.110704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.110704 (E_RNA)
where:
Base-Base interactions energy: -230.116
where: short stacking energy: -91.764
Base-Backbone interact. energy: -0.825
local terms energy: -102.169536
where:
bonds (distance) C4'-P energy: -20.673
bonds (distance) P-C4' energy: -21.651
flat angles C4'-P-C4' energy: -21.672
flat angles P-C4'-P energy: -15.122
tors. eta vs tors. theta energy: -23.051
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 143
Temperature: 0.950000
Total energy: -299.879064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.879064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.879064 (E_RNA)
where:
Base-Base interactions energy: -202.176
where: short stacking energy: -97.759
Base-Backbone interact. energy: -0.907
local terms energy: -96.796435
where:
bonds (distance) C4'-P energy: -18.359
bonds (distance) P-C4' energy: -18.207
flat angles C4'-P-C4' energy: -24.844
flat angles P-C4'-P energy: -9.490
tors. eta vs tors. theta energy: -25.896
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 143
Temperature: 1.000000
Total energy: -279.731512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.731512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.731512 (E_RNA)
where:
Base-Base interactions energy: -181.483
where: short stacking energy: -80.282
Base-Backbone interact. energy: -0.055
local terms energy: -98.193503
where:
bonds (distance) C4'-P energy: -20.904
bonds (distance) P-C4' energy: -23.118
flat angles C4'-P-C4' energy: -21.973
flat angles P-C4'-P energy: -14.161
tors. eta vs tors. theta energy: -18.038
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 143
Temperature: 1.050000
Total energy: -260.127996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.127996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.127996 (E_RNA)
where:
Base-Base interactions energy: -175.423
where: short stacking energy: -82.753
Base-Backbone interact. energy: -0.695
local terms energy: -84.009293
where:
bonds (distance) C4'-P energy: -14.160
bonds (distance) P-C4' energy: -21.235
flat angles C4'-P-C4' energy: -18.902
flat angles P-C4'-P energy: -11.466
tors. eta vs tors. theta energy: -18.247
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 143
Temperature: 1.100000
Total energy: -230.579368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.579368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.579368 (E_RNA)
where:
Base-Base interactions energy: -147.931
where: short stacking energy: -66.168
Base-Backbone interact. energy: -0.952
local terms energy: -81.696458
where:
bonds (distance) C4'-P energy: -11.327
bonds (distance) P-C4' energy: -16.119
flat angles C4'-P-C4' energy: -20.659
flat angles P-C4'-P energy: -14.047
tors. eta vs tors. theta energy: -19.544
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 143
Temperature: 1.150000
Total energy: -243.391819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.391819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.391819 (E_RNA)
where:
Base-Base interactions energy: -157.247
where: short stacking energy: -73.691
Base-Backbone interact. energy: -0.108
local terms energy: -86.036758
where:
bonds (distance) C4'-P energy: -20.006
bonds (distance) P-C4' energy: -20.902
flat angles C4'-P-C4' energy: -18.323
flat angles P-C4'-P energy: -12.454
tors. eta vs tors. theta energy: -14.352
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 143
Temperature: 1.200000
Total energy: -271.670783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.670783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.670783 (E_RNA)
where:
Base-Base interactions energy: -188.054
where: short stacking energy: -78.682
Base-Backbone interact. energy: -0.793
local terms energy: -82.823748
where:
bonds (distance) C4'-P energy: -17.830
bonds (distance) P-C4' energy: -17.801
flat angles C4'-P-C4' energy: -14.834
flat angles P-C4'-P energy: -13.059
tors. eta vs tors. theta energy: -19.300
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 143
Temperature: 1.250000
Total energy: -168.246153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.246153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.246153 (E_RNA)
where:
Base-Base interactions energy: -94.119
where: short stacking energy: -58.074
Base-Backbone interact. energy: -0.094
local terms energy: -74.033107
where:
bonds (distance) C4'-P energy: -17.605
bonds (distance) P-C4' energy: -18.570
flat angles C4'-P-C4' energy: -18.372
flat angles P-C4'-P energy: -6.727
tors. eta vs tors. theta energy: -12.758
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 143
Temperature: 1.300000
Total energy: -198.116588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.116588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.116588 (E_RNA)
where:
Base-Base interactions energy: -127.239
where: short stacking energy: -59.261
Base-Backbone interact. energy: -0.188
local terms energy: -70.690170
where:
bonds (distance) C4'-P energy: -14.071
bonds (distance) P-C4' energy: -13.010
flat angles C4'-P-C4' energy: -21.277
flat angles P-C4'-P energy: -12.410
tors. eta vs tors. theta energy: -9.923
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 143
Temperature: 1.350000
Total energy: -122.282846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.282846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.282846 (E_RNA)
where:
Base-Base interactions energy: -54.737
where: short stacking energy: -42.211
Base-Backbone interact. energy: -0.079
local terms energy: -67.466962
where:
bonds (distance) C4'-P energy: -14.048
bonds (distance) P-C4' energy: -22.866
flat angles C4'-P-C4' energy: -12.958
flat angles P-C4'-P energy: -9.687
tors. eta vs tors. theta energy: -7.908
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 144
Temperature: 0.900000
Total energy: -336.297084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.297084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.297084 (E_RNA)
where:
Base-Base interactions energy: -239.110
where: short stacking energy: -92.509
Base-Backbone interact. energy: -1.105
local terms energy: -96.081584
where:
bonds (distance) C4'-P energy: -20.540
bonds (distance) P-C4' energy: -16.059
flat angles C4'-P-C4' energy: -19.812
flat angles P-C4'-P energy: -14.300
tors. eta vs tors. theta energy: -25.371
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 144
Temperature: 0.950000
Total energy: -307.034639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.034639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.034639 (E_RNA)
where:
Base-Base interactions energy: -201.834
where: short stacking energy: -95.858
Base-Backbone interact. energy: -0.152
local terms energy: -105.048516
where:
bonds (distance) C4'-P energy: -20.078
bonds (distance) P-C4' energy: -21.713
flat angles C4'-P-C4' energy: -22.102
flat angles P-C4'-P energy: -13.148
tors. eta vs tors. theta energy: -28.008
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 144
Temperature: 1.000000
Total energy: -281.987055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.987055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.987055 (E_RNA)
where:
Base-Base interactions energy: -187.841
where: short stacking energy: -85.969
Base-Backbone interact. energy: -0.141
local terms energy: -94.005431
where:
bonds (distance) C4'-P energy: -16.752
bonds (distance) P-C4' energy: -20.678
flat angles C4'-P-C4' energy: -21.047
flat angles P-C4'-P energy: -14.049
tors. eta vs tors. theta energy: -21.479
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 144
Temperature: 1.050000
Total energy: -269.552561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.552561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.552561 (E_RNA)
where:
Base-Base interactions energy: -177.715
where: short stacking energy: -89.601
Base-Backbone interact. energy: -0.741
local terms energy: -91.096079
where:
bonds (distance) C4'-P energy: -15.004
bonds (distance) P-C4' energy: -19.945
flat angles C4'-P-C4' energy: -19.276
flat angles P-C4'-P energy: -16.312
tors. eta vs tors. theta energy: -20.558
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 144
Temperature: 1.100000
Total energy: -251.996093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.996093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.996093 (E_RNA)
where:
Base-Base interactions energy: -162.724
where: short stacking energy: -87.811
Base-Backbone interact. energy: -0.304
local terms energy: -88.968435
where:
bonds (distance) C4'-P energy: -17.030
bonds (distance) P-C4' energy: -17.932
flat angles C4'-P-C4' energy: -19.254
flat angles P-C4'-P energy: -11.353
tors. eta vs tors. theta energy: -23.400
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 144
Temperature: 1.150000
Total energy: -253.105099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.105099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.105099 (E_RNA)
where:
Base-Base interactions energy: -170.147
where: short stacking energy: -80.948
Base-Backbone interact. energy: -0.991
local terms energy: -81.966874
where:
bonds (distance) C4'-P energy: -17.269
bonds (distance) P-C4' energy: -21.030
flat angles C4'-P-C4' energy: -19.006
flat angles P-C4'-P energy: -10.650
tors. eta vs tors. theta energy: -14.012
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 144
Temperature: 1.200000
Total energy: -263.509500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.509500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.509500 (E_RNA)
where:
Base-Base interactions energy: -186.304
where: short stacking energy: -78.863
Base-Backbone interact. energy: -1.590
local terms energy: -75.615754
where:
bonds (distance) C4'-P energy: -13.742
bonds (distance) P-C4' energy: -12.983
flat angles C4'-P-C4' energy: -21.377
flat angles P-C4'-P energy: -8.757
tors. eta vs tors. theta energy: -18.758
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 144
Temperature: 1.250000
Total energy: -160.636147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.636147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.636147 (E_RNA)
where:
Base-Base interactions energy: -94.940
where: short stacking energy: -54.364
Base-Backbone interact. energy: -0.215
local terms energy: -65.481691
where:
bonds (distance) C4'-P energy: -15.389
bonds (distance) P-C4' energy: -12.341
flat angles C4'-P-C4' energy: -18.754
flat angles P-C4'-P energy: -12.404
tors. eta vs tors. theta energy: -6.594
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 144
Temperature: 1.300000
Total energy: -203.347401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.347401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.347401 (E_RNA)
where:
Base-Base interactions energy: -131.663
where: short stacking energy: -62.978
Base-Backbone interact. energy: -1.006
local terms energy: -70.678097
where:
bonds (distance) C4'-P energy: -16.858
bonds (distance) P-C4' energy: -11.625
flat angles C4'-P-C4' energy: -16.445
flat angles P-C4'-P energy: -10.482
tors. eta vs tors. theta energy: -15.268
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 144
Temperature: 1.350000
Total energy: -113.022342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.022342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.022342 (E_RNA)
where:
Base-Base interactions energy: -53.571
where: short stacking energy: -22.604
Base-Backbone interact. energy: -0.246
local terms energy: -59.205086
where:
bonds (distance) C4'-P energy: -15.521
bonds (distance) P-C4' energy: -20.860
flat angles C4'-P-C4' energy: -20.891
flat angles P-C4'-P energy: -1.753
tors. eta vs tors. theta energy: -0.180
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 145
Temperature: 0.900000
Total energy: -334.963142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.963142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.963142 (E_RNA)
where:
Base-Base interactions energy: -242.954
where: short stacking energy: -100.590
Base-Backbone interact. energy: -0.641
local terms energy: -91.367988
where:
bonds (distance) C4'-P energy: -15.092
bonds (distance) P-C4' energy: -21.643
flat angles C4'-P-C4' energy: -20.754
flat angles P-C4'-P energy: -11.846
tors. eta vs tors. theta energy: -22.034
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 145
Temperature: 0.950000
Total energy: -302.208321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.208321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.208321 (E_RNA)
where:
Base-Base interactions energy: -205.678
where: short stacking energy: -94.950
Base-Backbone interact. energy: -0.151
local terms energy: -96.378988
where:
bonds (distance) C4'-P energy: -18.361
bonds (distance) P-C4' energy: -22.430
flat angles C4'-P-C4' energy: -18.083
flat angles P-C4'-P energy: -11.482
tors. eta vs tors. theta energy: -26.023
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 145
Temperature: 1.000000
Total energy: -275.556036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.556036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.556036 (E_RNA)
where:
Base-Base interactions energy: -182.988
where: short stacking energy: -81.998
Base-Backbone interact. energy: -0.191
local terms energy: -92.377149
where:
bonds (distance) C4'-P energy: -19.282
bonds (distance) P-C4' energy: -22.502
flat angles C4'-P-C4' energy: -19.087
flat angles P-C4'-P energy: -12.795
tors. eta vs tors. theta energy: -18.712
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 145
Temperature: 1.050000
Total energy: -246.872183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.872183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.872183 (E_RNA)
where:
Base-Base interactions energy: -158.483
where: short stacking energy: -75.679
Base-Backbone interact. energy: -0.009
local terms energy: -88.380277
where:
bonds (distance) C4'-P energy: -15.468
bonds (distance) P-C4' energy: -22.641
flat angles C4'-P-C4' energy: -19.929
flat angles P-C4'-P energy: -11.139
tors. eta vs tors. theta energy: -19.203
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 145
Temperature: 1.100000
Total energy: -262.246509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.246509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.246509 (E_RNA)
where:
Base-Base interactions energy: -180.683
where: short stacking energy: -83.026
Base-Backbone interact. energy: -0.745
local terms energy: -80.818658
where:
bonds (distance) C4'-P energy: -14.934
bonds (distance) P-C4' energy: -18.185
flat angles C4'-P-C4' energy: -16.788
flat angles P-C4'-P energy: -12.450
tors. eta vs tors. theta energy: -18.462
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 145
Temperature: 1.150000
Total energy: -261.419740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.419740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.419740 (E_RNA)
where:
Base-Base interactions energy: -183.692
where: short stacking energy: -80.567
Base-Backbone interact. energy: -0.347
local terms energy: -77.381013
where:
bonds (distance) C4'-P energy: -18.353
bonds (distance) P-C4' energy: -12.913
flat angles C4'-P-C4' energy: -19.056
flat angles P-C4'-P energy: -8.940
tors. eta vs tors. theta energy: -18.120
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 145
Temperature: 1.200000
Total energy: -231.112605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.112605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.112605 (E_RNA)
where:
Base-Base interactions energy: -161.996
where: short stacking energy: -74.106
Base-Backbone interact. energy: -0.533
local terms energy: -68.583649
where:
bonds (distance) C4'-P energy: -13.585
bonds (distance) P-C4' energy: -10.553
flat angles C4'-P-C4' energy: -15.318
flat angles P-C4'-P energy: -11.777
tors. eta vs tors. theta energy: -17.350
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 145
Temperature: 1.250000
Total energy: -216.764108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.764108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.764108 (E_RNA)
where:
Base-Base interactions energy: -138.985
where: short stacking energy: -62.079
Base-Backbone interact. energy: 1.263
local terms energy: -79.042217
where:
bonds (distance) C4'-P energy: -20.111
bonds (distance) P-C4' energy: -19.692
flat angles C4'-P-C4' energy: -17.861
flat angles P-C4'-P energy: -11.779
tors. eta vs tors. theta energy: -9.599
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 145
Temperature: 1.300000
Total energy: -118.085706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.085706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.085706 (E_RNA)
where:
Base-Base interactions energy: -56.816
where: short stacking energy: -44.027
Base-Backbone interact. energy: -0.226
local terms energy: -61.044440
where:
bonds (distance) C4'-P energy: -13.379
bonds (distance) P-C4' energy: -17.740
flat angles C4'-P-C4' energy: -17.301
flat angles P-C4'-P energy: -8.614
tors. eta vs tors. theta energy: -4.010
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 145
Temperature: 1.350000
Total energy: -93.318461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.318461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.318461 (E_RNA)
where:
Base-Base interactions energy: -31.493
where: short stacking energy: -24.916
Base-Backbone interact. energy: -0.179
local terms energy: -61.645876
where:
bonds (distance) C4'-P energy: -19.789
bonds (distance) P-C4' energy: -17.549
flat angles C4'-P-C4' energy: -11.860
flat angles P-C4'-P energy: -12.294
tors. eta vs tors. theta energy: -0.154
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 146
Temperature: 0.900000
Total energy: -342.841854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.841854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.841854 (E_RNA)
where:
Base-Base interactions energy: -248.602
where: short stacking energy: -99.584
Base-Backbone interact. energy: -0.900
local terms energy: -93.340642
where:
bonds (distance) C4'-P energy: -14.577
bonds (distance) P-C4' energy: -15.277
flat angles C4'-P-C4' energy: -21.283
flat angles P-C4'-P energy: -16.049
tors. eta vs tors. theta energy: -26.154
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 146
Temperature: 0.950000
Total energy: -296.567726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.567726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.567726 (E_RNA)
where:
Base-Base interactions energy: -208.055
where: short stacking energy: -80.081
Base-Backbone interact. energy: 0.896
local terms energy: -89.408655
where:
bonds (distance) C4'-P energy: -16.452
bonds (distance) P-C4' energy: -21.697
flat angles C4'-P-C4' energy: -20.670
flat angles P-C4'-P energy: -7.271
tors. eta vs tors. theta energy: -23.318
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 146
Temperature: 1.000000
Total energy: -269.918321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.918321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.918321 (E_RNA)
where:
Base-Base interactions energy: -180.902
where: short stacking energy: -83.515
Base-Backbone interact. energy: -0.180
local terms energy: -88.836520
where:
bonds (distance) C4'-P energy: -17.505
bonds (distance) P-C4' energy: -20.136
flat angles C4'-P-C4' energy: -17.079
flat angles P-C4'-P energy: -14.811
tors. eta vs tors. theta energy: -19.305
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 146
Temperature: 1.050000
Total energy: -252.185767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.185767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.185767 (E_RNA)
where:
Base-Base interactions energy: -169.720
where: short stacking energy: -80.489
Base-Backbone interact. energy: 0.058
local terms energy: -82.523293
where:
bonds (distance) C4'-P energy: -19.682
bonds (distance) P-C4' energy: -15.310
flat angles C4'-P-C4' energy: -21.148
flat angles P-C4'-P energy: -14.348
tors. eta vs tors. theta energy: -12.035
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 146
Temperature: 1.100000
Total energy: -274.455147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.455147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.455147 (E_RNA)
where:
Base-Base interactions energy: -190.122
where: short stacking energy: -88.835
Base-Backbone interact. energy: -1.718
local terms energy: -82.614882
where:
bonds (distance) C4'-P energy: -17.481
bonds (distance) P-C4' energy: -20.176
flat angles C4'-P-C4' energy: -16.158
flat angles P-C4'-P energy: -7.351
tors. eta vs tors. theta energy: -21.449
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 146
Temperature: 1.150000
Total energy: -254.251709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.251709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.251709 (E_RNA)
where:
Base-Base interactions energy: -166.404
where: short stacking energy: -71.380
Base-Backbone interact. energy: -0.403
local terms energy: -87.445379
where:
bonds (distance) C4'-P energy: -20.995
bonds (distance) P-C4' energy: -17.600
flat angles C4'-P-C4' energy: -18.580
flat angles P-C4'-P energy: -14.332
tors. eta vs tors. theta energy: -15.939
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 146
Temperature: 1.200000
Total energy: -217.466853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.466853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.466853 (E_RNA)
where:
Base-Base interactions energy: -138.898
where: short stacking energy: -63.993
Base-Backbone interact. energy: -0.761
local terms energy: -77.807153
where:
bonds (distance) C4'-P energy: -17.910
bonds (distance) P-C4' energy: -15.808
flat angles C4'-P-C4' energy: -22.255
flat angles P-C4'-P energy: -11.983
tors. eta vs tors. theta energy: -9.851
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 146
Temperature: 1.250000
Total energy: -208.303908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.303908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.303908 (E_RNA)
where:
Base-Base interactions energy: -140.970
where: short stacking energy: -62.522
Base-Backbone interact. energy: -0.255
local terms energy: -67.078970
where:
bonds (distance) C4'-P energy: -14.011
bonds (distance) P-C4' energy: -17.647
flat angles C4'-P-C4' energy: -13.961
flat angles P-C4'-P energy: -8.490
tors. eta vs tors. theta energy: -12.969
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 146
Temperature: 1.300000
Total energy: -124.834272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.834272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.834272 (E_RNA)
where:
Base-Base interactions energy: -53.668
where: short stacking energy: -45.278
Base-Backbone interact. energy: -0.100
local terms energy: -71.066339
where:
bonds (distance) C4'-P energy: -16.381
bonds (distance) P-C4' energy: -21.176
flat angles C4'-P-C4' energy: -11.541
flat angles P-C4'-P energy: -12.798
tors. eta vs tors. theta energy: -9.170
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 146
Temperature: 1.350000
Total energy: -116.660959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.660959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.660959 (E_RNA)
where:
Base-Base interactions energy: -56.060
where: short stacking energy: -35.187
Base-Backbone interact. energy: -0.163
local terms energy: -60.437797
where:
bonds (distance) C4'-P energy: -17.879
bonds (distance) P-C4' energy: -19.174
flat angles C4'-P-C4' energy: -10.880
flat angles P-C4'-P energy: -9.715
tors. eta vs tors. theta energy: -2.791
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 147
Temperature: 0.900000
Total energy: -340.776246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.776246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.776246 (E_RNA)
where:
Base-Base interactions energy: -245.506
where: short stacking energy: -102.110
Base-Backbone interact. energy: 0.040
local terms energy: -95.310635
where:
bonds (distance) C4'-P energy: -19.133
bonds (distance) P-C4' energy: -17.161
flat angles C4'-P-C4' energy: -23.023
flat angles P-C4'-P energy: -10.155
tors. eta vs tors. theta energy: -25.839
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 147
Temperature: 0.950000
Total energy: -281.835652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.835652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.835652 (E_RNA)
where:
Base-Base interactions energy: -183.659
where: short stacking energy: -86.333
Base-Backbone interact. energy: -0.120
local terms energy: -98.056712
where:
bonds (distance) C4'-P energy: -21.646
bonds (distance) P-C4' energy: -20.139
flat angles C4'-P-C4' energy: -20.755
flat angles P-C4'-P energy: -16.854
tors. eta vs tors. theta energy: -18.663
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 147
Temperature: 1.000000
Total energy: -304.172704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.172704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.172704 (E_RNA)
where:
Base-Base interactions energy: -207.524
where: short stacking energy: -103.597
Base-Backbone interact. energy: -0.000
local terms energy: -96.648305
where:
bonds (distance) C4'-P energy: -16.901
bonds (distance) P-C4' energy: -15.471
flat angles C4'-P-C4' energy: -21.336
flat angles P-C4'-P energy: -15.190
tors. eta vs tors. theta energy: -27.751
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 147
Temperature: 1.050000
Total energy: -306.593752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.593752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.593752 (E_RNA)
where:
Base-Base interactions energy: -206.479
where: short stacking energy: -95.954
Base-Backbone interact. energy: -0.798
local terms energy: -99.316967
where:
bonds (distance) C4'-P energy: -19.058
bonds (distance) P-C4' energy: -20.467
flat angles C4'-P-C4' energy: -18.293
flat angles P-C4'-P energy: -12.848
tors. eta vs tors. theta energy: -28.651
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 147
Temperature: 1.100000
Total energy: -244.140728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.140728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.140728 (E_RNA)
where:
Base-Base interactions energy: -164.288
where: short stacking energy: -79.068
Base-Backbone interact. energy: -0.059
local terms energy: -79.794260
where:
bonds (distance) C4'-P energy: -13.671
bonds (distance) P-C4' energy: -13.181
flat angles C4'-P-C4' energy: -22.012
flat angles P-C4'-P energy: -10.862
tors. eta vs tors. theta energy: -20.068
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 147
Temperature: 1.150000
Total energy: -261.696246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.696246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.696246 (E_RNA)
where:
Base-Base interactions energy: -170.060
where: short stacking energy: -69.182
Base-Backbone interact. energy: -1.222
local terms energy: -90.414797
where:
bonds (distance) C4'-P energy: -19.240
bonds (distance) P-C4' energy: -19.462
flat angles C4'-P-C4' energy: -21.212
flat angles P-C4'-P energy: -10.966
tors. eta vs tors. theta energy: -19.535
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 147
Temperature: 1.200000
Total energy: -213.176267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.176267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.176267 (E_RNA)
where:
Base-Base interactions energy: -130.197
where: short stacking energy: -60.810
Base-Backbone interact. energy: -0.283
local terms energy: -82.696175
where:
bonds (distance) C4'-P energy: -19.202
bonds (distance) P-C4' energy: -22.062
flat angles C4'-P-C4' energy: -17.829
flat angles P-C4'-P energy: -9.548
tors. eta vs tors. theta energy: -14.055
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 147
Temperature: 1.250000
Total energy: -222.696736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.696736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.696736 (E_RNA)
where:
Base-Base interactions energy: -139.936
where: short stacking energy: -71.428
Base-Backbone interact. energy: -0.840
local terms energy: -81.920826
where:
bonds (distance) C4'-P energy: -18.597
bonds (distance) P-C4' energy: -21.750
flat angles C4'-P-C4' energy: -21.354
flat angles P-C4'-P energy: -9.215
tors. eta vs tors. theta energy: -11.005
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 147
Temperature: 1.300000
Total energy: -101.784086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.784086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.784086 (E_RNA)
where:
Base-Base interactions energy: -44.569
where: short stacking energy: -29.311
Base-Backbone interact. energy: -0.465
local terms energy: -56.749774
where:
bonds (distance) C4'-P energy: -18.222
bonds (distance) P-C4' energy: -21.778
flat angles C4'-P-C4' energy: -5.780
flat angles P-C4'-P energy: -10.528
tors. eta vs tors. theta energy: -0.441
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 147
Temperature: 1.350000
Total energy: -93.349548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.349548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.349548 (E_RNA)
where:
Base-Base interactions energy: -42.484
where: short stacking energy: -27.989
Base-Backbone interact. energy: 2.692
local terms energy: -53.557207
where:
bonds (distance) C4'-P energy: -18.760
bonds (distance) P-C4' energy: -15.693
flat angles C4'-P-C4' energy: -11.110
flat angles P-C4'-P energy: -10.560
tors. eta vs tors. theta energy: 2.566
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 148
Temperature: 0.900000
Total energy: -336.157511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.157511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.157511 (E_RNA)
where:
Base-Base interactions energy: -239.526
where: short stacking energy: -92.344
Base-Backbone interact. energy: -0.574
local terms energy: -96.057806
where:
bonds (distance) C4'-P energy: -18.412
bonds (distance) P-C4' energy: -20.890
flat angles C4'-P-C4' energy: -18.884
flat angles P-C4'-P energy: -12.984
tors. eta vs tors. theta energy: -24.888
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 148
Temperature: 0.950000
Total energy: -295.158270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.158270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.158270 (E_RNA)
where:
Base-Base interactions energy: -198.772
where: short stacking energy: -86.027
Base-Backbone interact. energy: -0.216
local terms energy: -96.171157
where:
bonds (distance) C4'-P energy: -19.111
bonds (distance) P-C4' energy: -21.647
flat angles C4'-P-C4' energy: -22.421
flat angles P-C4'-P energy: -15.337
tors. eta vs tors. theta energy: -17.656
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 148
Temperature: 1.000000
Total energy: -294.139453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.139453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.139453 (E_RNA)
where:
Base-Base interactions energy: -197.622
where: short stacking energy: -86.859
Base-Backbone interact. energy: -0.341
local terms energy: -96.177018
where:
bonds (distance) C4'-P energy: -22.672
bonds (distance) P-C4' energy: -16.421
flat angles C4'-P-C4' energy: -19.126
flat angles P-C4'-P energy: -11.467
tors. eta vs tors. theta energy: -26.492
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 148
Temperature: 1.050000
Total energy: -291.245886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.245886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.245886 (E_RNA)
where:
Base-Base interactions energy: -188.587
where: short stacking energy: -88.531
Base-Backbone interact. energy: -0.056
local terms energy: -102.602588
where:
bonds (distance) C4'-P energy: -19.068
bonds (distance) P-C4' energy: -18.847
flat angles C4'-P-C4' energy: -17.938
flat angles P-C4'-P energy: -18.712
tors. eta vs tors. theta energy: -28.036
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 148
Temperature: 1.100000
Total energy: -254.343042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.343042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.343042 (E_RNA)
where:
Base-Base interactions energy: -168.306
where: short stacking energy: -80.159
Base-Backbone interact. energy: -0.091
local terms energy: -85.945699
where:
bonds (distance) C4'-P energy: -17.152
bonds (distance) P-C4' energy: -17.938
flat angles C4'-P-C4' energy: -19.044
flat angles P-C4'-P energy: -11.634
tors. eta vs tors. theta energy: -20.177
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 148
Temperature: 1.150000
Total energy: -233.940127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.940127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.940127 (E_RNA)
where:
Base-Base interactions energy: -157.608
where: short stacking energy: -67.561
Base-Backbone interact. energy: -0.315
local terms energy: -76.017382
where:
bonds (distance) C4'-P energy: -14.693
bonds (distance) P-C4' energy: -16.180
flat angles C4'-P-C4' energy: -18.746
flat angles P-C4'-P energy: -11.200
tors. eta vs tors. theta energy: -15.199
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 148
Temperature: 1.200000
Total energy: -235.313824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.313824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.313824 (E_RNA)
where:
Base-Base interactions energy: -158.586
where: short stacking energy: -77.693
Base-Backbone interact. energy: -0.198
local terms energy: -76.529523
where:
bonds (distance) C4'-P energy: -18.718
bonds (distance) P-C4' energy: -12.251
flat angles C4'-P-C4' energy: -16.012
flat angles P-C4'-P energy: -10.809
tors. eta vs tors. theta energy: -18.740
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 148
Temperature: 1.250000
Total energy: -210.853063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.853063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.853063 (E_RNA)
where:
Base-Base interactions energy: -131.522
where: short stacking energy: -65.110
Base-Backbone interact. energy: -0.326
local terms energy: -79.004530
where:
bonds (distance) C4'-P energy: -17.081
bonds (distance) P-C4' energy: -15.095
flat angles C4'-P-C4' energy: -18.527
flat angles P-C4'-P energy: -8.149
tors. eta vs tors. theta energy: -20.152
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 148
Temperature: 1.300000
Total energy: -117.275166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.275166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.275166 (E_RNA)
where:
Base-Base interactions energy: -56.955
where: short stacking energy: -46.036
Base-Backbone interact. energy: -0.127
local terms energy: -60.193147
where:
bonds (distance) C4'-P energy: -15.252
bonds (distance) P-C4' energy: -19.284
flat angles C4'-P-C4' energy: -14.903
flat angles P-C4'-P energy: -5.790
tors. eta vs tors. theta energy: -4.965
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 148
Temperature: 1.350000
Total energy: -95.572856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.572856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.572856 (E_RNA)
where:
Base-Base interactions energy: -29.548
where: short stacking energy: -29.548
Base-Backbone interact. energy: -0.686
local terms energy: -65.339719
where:
bonds (distance) C4'-P energy: -18.434
bonds (distance) P-C4' energy: -19.066
flat angles C4'-P-C4' energy: -15.555
flat angles P-C4'-P energy: -11.040
tors. eta vs tors. theta energy: -1.245
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 149
Temperature: 0.900000
Total energy: -342.169703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.169703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.169703 (E_RNA)
where:
Base-Base interactions energy: -248.854
where: short stacking energy: -93.108
Base-Backbone interact. energy: -0.483
local terms energy: -92.832208
where:
bonds (distance) C4'-P energy: -20.705
bonds (distance) P-C4' energy: -19.840
flat angles C4'-P-C4' energy: -17.674
flat angles P-C4'-P energy: -13.124
tors. eta vs tors. theta energy: -21.489
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 149
Temperature: 0.950000
Total energy: -312.802921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.802921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.802921 (E_RNA)
where:
Base-Base interactions energy: -202.494
where: short stacking energy: -91.769
Base-Backbone interact. energy: -0.450
local terms energy: -109.859513
where:
bonds (distance) C4'-P energy: -22.287
bonds (distance) P-C4' energy: -23.015
flat angles C4'-P-C4' energy: -21.873
flat angles P-C4'-P energy: -15.848
tors. eta vs tors. theta energy: -26.837
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 149
Temperature: 1.000000
Total energy: -280.202484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.202484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.202484 (E_RNA)
where:
Base-Base interactions energy: -192.480
where: short stacking energy: -77.019
Base-Backbone interact. energy: -0.746
local terms energy: -86.976694
where:
bonds (distance) C4'-P energy: -19.620
bonds (distance) P-C4' energy: -18.472
flat angles C4'-P-C4' energy: -20.201
flat angles P-C4'-P energy: -13.248
tors. eta vs tors. theta energy: -15.435
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 149
Temperature: 1.050000
Total energy: -283.776482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.776482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.776482 (E_RNA)
where:
Base-Base interactions energy: -193.498
where: short stacking energy: -87.955
Base-Backbone interact. energy: -0.116
local terms energy: -90.162618
where:
bonds (distance) C4'-P energy: -17.476
bonds (distance) P-C4' energy: -18.934
flat angles C4'-P-C4' energy: -19.963
flat angles P-C4'-P energy: -13.232
tors. eta vs tors. theta energy: -20.557
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 149
Temperature: 1.100000
Total energy: -249.832583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.832583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.832583 (E_RNA)
where:
Base-Base interactions energy: -170.520
where: short stacking energy: -79.827
Base-Backbone interact. energy: 0.271
local terms energy: -79.583482
where:
bonds (distance) C4'-P energy: -16.514
bonds (distance) P-C4' energy: -19.112
flat angles C4'-P-C4' energy: -20.487
flat angles P-C4'-P energy: -8.664
tors. eta vs tors. theta energy: -14.806
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 149
Temperature: 1.150000
Total energy: -240.332854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.332854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.332854 (E_RNA)
where:
Base-Base interactions energy: -159.429
where: short stacking energy: -71.421
Base-Backbone interact. energy: -0.513
local terms energy: -80.391153
where:
bonds (distance) C4'-P energy: -13.164
bonds (distance) P-C4' energy: -20.131
flat angles C4'-P-C4' energy: -18.143
flat angles P-C4'-P energy: -10.013
tors. eta vs tors. theta energy: -18.940
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 149
Temperature: 1.200000
Total energy: -216.944602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.944602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.944602 (E_RNA)
where:
Base-Base interactions energy: -139.232
where: short stacking energy: -54.401
Base-Backbone interact. energy: -0.073
local terms energy: -77.640013
where:
bonds (distance) C4'-P energy: -18.797
bonds (distance) P-C4' energy: -15.323
flat angles C4'-P-C4' energy: -16.136
flat angles P-C4'-P energy: -12.477
tors. eta vs tors. theta energy: -14.907
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 149
Temperature: 1.250000
Total energy: -176.644430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.644430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.644430 (E_RNA)
where:
Base-Base interactions energy: -102.334
where: short stacking energy: -51.963
Base-Backbone interact. energy: -0.153
local terms energy: -74.156767
where:
bonds (distance) C4'-P energy: -17.286
bonds (distance) P-C4' energy: -19.683
flat angles C4'-P-C4' energy: -15.987
flat angles P-C4'-P energy: -10.956
tors. eta vs tors. theta energy: -10.245
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 149
Temperature: 1.300000
Total energy: -198.931747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.931747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.931747 (E_RNA)
where:
Base-Base interactions energy: -127.977
where: short stacking energy: -58.483
Base-Backbone interact. energy: 1.230
local terms energy: -72.184352
where:
bonds (distance) C4'-P energy: -17.767
bonds (distance) P-C4' energy: -20.439
flat angles C4'-P-C4' energy: -14.895
flat angles P-C4'-P energy: -10.923
tors. eta vs tors. theta energy: -8.159
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 149
Temperature: 1.350000
Total energy: -94.573678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.573678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.573678 (E_RNA)
where:
Base-Base interactions energy: -27.588
where: short stacking energy: -26.384
Base-Backbone interact. energy: 0.241
local terms energy: -67.227055
where:
bonds (distance) C4'-P energy: -17.312
bonds (distance) P-C4' energy: -21.444
flat angles C4'-P-C4' energy: -8.966
flat angles P-C4'-P energy: -13.871
tors. eta vs tors. theta energy: -5.635
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 150
Temperature: 0.900000
Total energy: -319.198921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.198921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.198921 (E_RNA)
where:
Base-Base interactions energy: -215.066
where: short stacking energy: -94.411
Base-Backbone interact. energy: -1.031
local terms energy: -103.101611
where:
bonds (distance) C4'-P energy: -20.417
bonds (distance) P-C4' energy: -19.371
flat angles C4'-P-C4' energy: -21.385
flat angles P-C4'-P energy: -14.055
tors. eta vs tors. theta energy: -27.874
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 150
Temperature: 0.950000
Total energy: -337.053279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.053279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.053279 (E_RNA)
where:
Base-Base interactions energy: -233.641
where: short stacking energy: -95.125
Base-Backbone interact. energy: -0.341
local terms energy: -103.071608
where:
bonds (distance) C4'-P energy: -19.490
bonds (distance) P-C4' energy: -24.706
flat angles C4'-P-C4' energy: -21.750
flat angles P-C4'-P energy: -13.815
tors. eta vs tors. theta energy: -23.310
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 150
Temperature: 1.000000
Total energy: -277.503180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.503180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.503180 (E_RNA)
where:
Base-Base interactions energy: -194.451
where: short stacking energy: -95.196
Base-Backbone interact. energy: -0.309
local terms energy: -82.743574
where:
bonds (distance) C4'-P energy: -19.700
bonds (distance) P-C4' energy: -16.152
flat angles C4'-P-C4' energy: -20.967
flat angles P-C4'-P energy: -4.596
tors. eta vs tors. theta energy: -21.328
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 150
Temperature: 1.050000
Total energy: -268.444293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.444293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.444293 (E_RNA)
where:
Base-Base interactions energy: -180.531
where: short stacking energy: -77.787
Base-Backbone interact. energy: -0.209
local terms energy: -87.704793
where:
bonds (distance) C4'-P energy: -18.573
bonds (distance) P-C4' energy: -15.563
flat angles C4'-P-C4' energy: -21.347
flat angles P-C4'-P energy: -15.312
tors. eta vs tors. theta energy: -16.910
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 150
Temperature: 1.100000
Total energy: -248.403663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.403663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.403663 (E_RNA)
where:
Base-Base interactions energy: -172.491
where: short stacking energy: -69.347
Base-Backbone interact. energy: -0.229
local terms energy: -75.683882
where:
bonds (distance) C4'-P energy: -12.726
bonds (distance) P-C4' energy: -15.888
flat angles C4'-P-C4' energy: -14.599
flat angles P-C4'-P energy: -16.937
tors. eta vs tors. theta energy: -15.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 150
Temperature: 1.150000
Total energy: -243.463852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.463852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.463852 (E_RNA)
where:
Base-Base interactions energy: -157.509
where: short stacking energy: -67.722
Base-Backbone interact. energy: -0.435
local terms energy: -85.519795
where:
bonds (distance) C4'-P energy: -16.114
bonds (distance) P-C4' energy: -21.274
flat angles C4'-P-C4' energy: -20.658
flat angles P-C4'-P energy: -13.125
tors. eta vs tors. theta energy: -14.349
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 150
Temperature: 1.200000
Total energy: -264.290493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.290493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.290493 (E_RNA)
where:
Base-Base interactions energy: -181.910
where: short stacking energy: -65.790
Base-Backbone interact. energy: -0.866
local terms energy: -81.514145
where:
bonds (distance) C4'-P energy: -17.331
bonds (distance) P-C4' energy: -19.721
flat angles C4'-P-C4' energy: -19.925
flat angles P-C4'-P energy: -10.236
tors. eta vs tors. theta energy: -14.301
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 150
Temperature: 1.250000
Total energy: -195.713827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.713827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.713827 (E_RNA)
where:
Base-Base interactions energy: -128.764
where: short stacking energy: -54.139
Base-Backbone interact. energy: 0.754
local terms energy: -67.703683
where:
bonds (distance) C4'-P energy: -18.788
bonds (distance) P-C4' energy: -15.478
flat angles C4'-P-C4' energy: -14.563
flat angles P-C4'-P energy: -8.941
tors. eta vs tors. theta energy: -9.933
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 150
Temperature: 1.300000
Total energy: -204.426776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.426776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.426776 (E_RNA)
where:
Base-Base interactions energy: -132.920
where: short stacking energy: -61.483
Base-Backbone interact. energy: -0.059
local terms energy: -71.447371
where:
bonds (distance) C4'-P energy: -16.933
bonds (distance) P-C4' energy: -14.635
flat angles C4'-P-C4' energy: -22.908
flat angles P-C4'-P energy: -12.134
tors. eta vs tors. theta energy: -4.838
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 150
Temperature: 1.350000
Total energy: -100.659562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.659562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.659562 (E_RNA)
where:
Base-Base interactions energy: -40.715
where: short stacking energy: -32.750
Base-Backbone interact. energy: -0.316
local terms energy: -59.629324
where:
bonds (distance) C4'-P energy: -18.143
bonds (distance) P-C4' energy: -20.691
flat angles C4'-P-C4' energy: -13.330
flat angles P-C4'-P energy: -6.863
tors. eta vs tors. theta energy: -0.602
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 151
Temperature: 0.900000
Total energy: -322.221656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.221656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.221656 (E_RNA)
where:
Base-Base interactions energy: -215.514
where: short stacking energy: -98.651
Base-Backbone interact. energy: -0.171
local terms energy: -106.536979
where:
bonds (distance) C4'-P energy: -20.370
bonds (distance) P-C4' energy: -19.908
flat angles C4'-P-C4' energy: -23.134
flat angles P-C4'-P energy: -15.063
tors. eta vs tors. theta energy: -28.063
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 151
Temperature: 0.950000
Total energy: -324.430459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.430459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.430459 (E_RNA)
where:
Base-Base interactions energy: -233.647
where: short stacking energy: -92.744
Base-Backbone interact. energy: -0.885
local terms energy: -89.898064
where:
bonds (distance) C4'-P energy: -16.524
bonds (distance) P-C4' energy: -18.733
flat angles C4'-P-C4' energy: -20.215
flat angles P-C4'-P energy: -16.241
tors. eta vs tors. theta energy: -18.184
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 151
Temperature: 1.000000
Total energy: -293.096526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.096526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.096526 (E_RNA)
where:
Base-Base interactions energy: -198.528
where: short stacking energy: -81.270
Base-Backbone interact. energy: -0.042
local terms energy: -94.526586
where:
bonds (distance) C4'-P energy: -17.797
bonds (distance) P-C4' energy: -19.852
flat angles C4'-P-C4' energy: -19.991
flat angles P-C4'-P energy: -12.751
tors. eta vs tors. theta energy: -24.135
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 151
Temperature: 1.050000
Total energy: -264.883415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.883415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.883415 (E_RNA)
where:
Base-Base interactions energy: -176.730
where: short stacking energy: -77.956
Base-Backbone interact. energy: 0.689
local terms energy: -88.841667
where:
bonds (distance) C4'-P energy: -22.138
bonds (distance) P-C4' energy: -18.585
flat angles C4'-P-C4' energy: -18.403
flat angles P-C4'-P energy: -10.700
tors. eta vs tors. theta energy: -19.015
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 151
Temperature: 1.100000
Total energy: -257.803819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.803819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.803819 (E_RNA)
where:
Base-Base interactions energy: -170.575
where: short stacking energy: -71.023
Base-Backbone interact. energy: -0.181
local terms energy: -87.047182
where:
bonds (distance) C4'-P energy: -16.004
bonds (distance) P-C4' energy: -20.552
flat angles C4'-P-C4' energy: -19.994
flat angles P-C4'-P energy: -16.237
tors. eta vs tors. theta energy: -14.260
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 151
Temperature: 1.150000
Total energy: -272.909524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.909524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.909524 (E_RNA)
where:
Base-Base interactions energy: -181.575
where: short stacking energy: -83.273
Base-Backbone interact. energy: -0.264
local terms energy: -91.070106
where:
bonds (distance) C4'-P energy: -20.128
bonds (distance) P-C4' energy: -18.518
flat angles C4'-P-C4' energy: -21.091
flat angles P-C4'-P energy: -11.497
tors. eta vs tors. theta energy: -19.836
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 151
Temperature: 1.200000
Total energy: -219.454237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.454237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.454237 (E_RNA)
where:
Base-Base interactions energy: -147.716
where: short stacking energy: -67.066
Base-Backbone interact. energy: -0.384
local terms energy: -71.354001
where:
bonds (distance) C4'-P energy: -13.256
bonds (distance) P-C4' energy: -15.334
flat angles C4'-P-C4' energy: -18.989
flat angles P-C4'-P energy: -11.451
tors. eta vs tors. theta energy: -12.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 151
Temperature: 1.250000
Total energy: -213.463401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.463401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.463401 (E_RNA)
where:
Base-Base interactions energy: -144.021
where: short stacking energy: -65.663
Base-Backbone interact. energy: -0.218
local terms energy: -69.223944
where:
bonds (distance) C4'-P energy: -19.455
bonds (distance) P-C4' energy: -13.962
flat angles C4'-P-C4' energy: -16.527
flat angles P-C4'-P energy: -9.397
tors. eta vs tors. theta energy: -9.884
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 151
Temperature: 1.300000
Total energy: -160.378128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.378128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.378128 (E_RNA)
where:
Base-Base interactions energy: -94.790
where: short stacking energy: -48.887
Base-Backbone interact. energy: 0.699
local terms energy: -66.287661
where:
bonds (distance) C4'-P energy: -14.743
bonds (distance) P-C4' energy: -20.369
flat angles C4'-P-C4' energy: -17.973
flat angles P-C4'-P energy: -10.596
tors. eta vs tors. theta energy: -2.606
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 151
Temperature: 1.350000
Total energy: -99.989365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.989365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.989365 (E_RNA)
where:
Base-Base interactions energy: -53.689
where: short stacking energy: -35.688
Base-Backbone interact. energy: -0.594
local terms energy: -45.706929
where:
bonds (distance) C4'-P energy: -15.241
bonds (distance) P-C4' energy: -14.529
flat angles C4'-P-C4' energy: -18.190
flat angles P-C4'-P energy: -3.209
tors. eta vs tors. theta energy: 5.462
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 152
Temperature: 0.900000
Total energy: -342.694771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.694771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.694771 (E_RNA)
where:
Base-Base interactions energy: -252.145
where: short stacking energy: -99.398
Base-Backbone interact. energy: -0.227
local terms energy: -90.322841
where:
bonds (distance) C4'-P energy: -17.550
bonds (distance) P-C4' energy: -15.961
flat angles C4'-P-C4' energy: -18.739
flat angles P-C4'-P energy: -14.898
tors. eta vs tors. theta energy: -23.175
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 152
Temperature: 0.950000
Total energy: -313.060793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.060793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.060793 (E_RNA)
where:
Base-Base interactions energy: -210.885
where: short stacking energy: -92.664
Base-Backbone interact. energy: -0.933
local terms energy: -101.243418
where:
bonds (distance) C4'-P energy: -17.360
bonds (distance) P-C4' energy: -23.318
flat angles C4'-P-C4' energy: -20.153
flat angles P-C4'-P energy: -12.979
tors. eta vs tors. theta energy: -27.433
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 152
Temperature: 1.000000
Total energy: -305.656505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.656505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.656505 (E_RNA)
where:
Base-Base interactions energy: -207.175
where: short stacking energy: -99.022
Base-Backbone interact. energy: -0.053
local terms energy: -98.428985
where:
bonds (distance) C4'-P energy: -15.799
bonds (distance) P-C4' energy: -17.579
flat angles C4'-P-C4' energy: -21.107
flat angles P-C4'-P energy: -16.577
tors. eta vs tors. theta energy: -27.367
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 152
Temperature: 1.050000
Total energy: -257.268935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.268935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.268935 (E_RNA)
where:
Base-Base interactions energy: -165.979
where: short stacking energy: -76.689
Base-Backbone interact. energy: -0.273
local terms energy: -91.017454
where:
bonds (distance) C4'-P energy: -17.541
bonds (distance) P-C4' energy: -16.902
flat angles C4'-P-C4' energy: -16.971
flat angles P-C4'-P energy: -16.015
tors. eta vs tors. theta energy: -23.588
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 152
Temperature: 1.100000
Total energy: -259.421526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.421526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.421526 (E_RNA)
where:
Base-Base interactions energy: -181.263
where: short stacking energy: -73.270
Base-Backbone interact. energy: 0.448
local terms energy: -78.605927
where:
bonds (distance) C4'-P energy: -22.271
bonds (distance) P-C4' energy: -19.327
flat angles C4'-P-C4' energy: -15.945
flat angles P-C4'-P energy: -9.031
tors. eta vs tors. theta energy: -12.032
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 152
Temperature: 1.150000
Total energy: -257.642792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.642792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.642792 (E_RNA)
where:
Base-Base interactions energy: -166.170
where: short stacking energy: -76.986
Base-Backbone interact. energy: -0.538
local terms energy: -90.934861
where:
bonds (distance) C4'-P energy: -19.839
bonds (distance) P-C4' energy: -13.463
flat angles C4'-P-C4' energy: -18.030
flat angles P-C4'-P energy: -13.217
tors. eta vs tors. theta energy: -26.387
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 152
Temperature: 1.200000
Total energy: -240.602694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.602694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.602694 (E_RNA)
where:
Base-Base interactions energy: -161.828
where: short stacking energy: -78.093
Base-Backbone interact. energy: 1.450
local terms energy: -80.224336
where:
bonds (distance) C4'-P energy: -17.070
bonds (distance) P-C4' energy: -18.290
flat angles C4'-P-C4' energy: -15.461
flat angles P-C4'-P energy: -7.305
tors. eta vs tors. theta energy: -22.098
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 152
Temperature: 1.250000
Total energy: -232.478783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.478783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.478783 (E_RNA)
where:
Base-Base interactions energy: -146.486
where: short stacking energy: -61.013
Base-Backbone interact. energy: -0.169
local terms energy: -85.824391
where:
bonds (distance) C4'-P energy: -20.667
bonds (distance) P-C4' energy: -19.735
flat angles C4'-P-C4' energy: -19.472
flat angles P-C4'-P energy: -15.364
tors. eta vs tors. theta energy: -10.587
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 152
Temperature: 1.300000
Total energy: -185.648337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.648337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.648337 (E_RNA)
where:
Base-Base interactions energy: -128.703
where: short stacking energy: -59.932
Base-Backbone interact. energy: -0.263
local terms energy: -56.681738
where:
bonds (distance) C4'-P energy: -10.579
bonds (distance) P-C4' energy: -15.947
flat angles C4'-P-C4' energy: -13.621
flat angles P-C4'-P energy: -5.352
tors. eta vs tors. theta energy: -11.182
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 152
Temperature: 1.350000
Total energy: -114.181254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.181254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.181254 (E_RNA)
where:
Base-Base interactions energy: -45.204
where: short stacking energy: -44.967
Base-Backbone interact. energy: -0.403
local terms energy: -68.574542
where:
bonds (distance) C4'-P energy: -21.708
bonds (distance) P-C4' energy: -18.181
flat angles C4'-P-C4' energy: -15.402
flat angles P-C4'-P energy: -9.981
tors. eta vs tors. theta energy: -3.304
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 153
Temperature: 0.900000
Total energy: -331.006161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.006161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.006161 (E_RNA)
where:
Base-Base interactions energy: -242.343
where: short stacking energy: -95.601
Base-Backbone interact. energy: -0.373
local terms energy: -88.290110
where:
bonds (distance) C4'-P energy: -14.752
bonds (distance) P-C4' energy: -22.201
flat angles C4'-P-C4' energy: -22.595
flat angles P-C4'-P energy: -10.086
tors. eta vs tors. theta energy: -18.656
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 153
Temperature: 0.950000
Total energy: -317.026381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.026381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.026381 (E_RNA)
where:
Base-Base interactions energy: -216.797
where: short stacking energy: -95.648
Base-Backbone interact. energy: -1.132
local terms energy: -99.097002
where:
bonds (distance) C4'-P energy: -18.699
bonds (distance) P-C4' energy: -18.457
flat angles C4'-P-C4' energy: -20.608
flat angles P-C4'-P energy: -11.895
tors. eta vs tors. theta energy: -29.439
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 153
Temperature: 1.000000
Total energy: -287.362821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.362821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.362821 (E_RNA)
where:
Base-Base interactions energy: -195.540
where: short stacking energy: -85.621
Base-Backbone interact. energy: -1.085
local terms energy: -90.738259
where:
bonds (distance) C4'-P energy: -20.414
bonds (distance) P-C4' energy: -22.648
flat angles C4'-P-C4' energy: -15.532
flat angles P-C4'-P energy: -8.575
tors. eta vs tors. theta energy: -23.570
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 153
Temperature: 1.050000
Total energy: -238.851978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.851978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.851978 (E_RNA)
where:
Base-Base interactions energy: -151.144
where: short stacking energy: -73.864
Base-Backbone interact. energy: -0.663
local terms energy: -87.045283
where:
bonds (distance) C4'-P energy: -20.891
bonds (distance) P-C4' energy: -19.836
flat angles C4'-P-C4' energy: -19.834
flat angles P-C4'-P energy: -9.203
tors. eta vs tors. theta energy: -17.281
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 153
Temperature: 1.100000
Total energy: -248.693792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.693792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.693792 (E_RNA)
where:
Base-Base interactions energy: -158.784
where: short stacking energy: -77.964
Base-Backbone interact. energy: -0.714
local terms energy: -89.195609
where:
bonds (distance) C4'-P energy: -19.375
bonds (distance) P-C4' energy: -16.014
flat angles C4'-P-C4' energy: -18.194
flat angles P-C4'-P energy: -15.513
tors. eta vs tors. theta energy: -20.099
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 153
Temperature: 1.150000
Total energy: -231.545233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.545233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.545233 (E_RNA)
where:
Base-Base interactions energy: -148.421
where: short stacking energy: -73.527
Base-Backbone interact. energy: -0.533
local terms energy: -82.590796
where:
bonds (distance) C4'-P energy: -16.932
bonds (distance) P-C4' energy: -19.329
flat angles C4'-P-C4' energy: -20.560
flat angles P-C4'-P energy: -13.076
tors. eta vs tors. theta energy: -12.693
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 153
Temperature: 1.200000
Total energy: -238.553469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.553469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.553469 (E_RNA)
where:
Base-Base interactions energy: -156.151
where: short stacking energy: -82.793
Base-Backbone interact. energy: -0.060
local terms energy: -82.342092
where:
bonds (distance) C4'-P energy: -15.249
bonds (distance) P-C4' energy: -15.986
flat angles C4'-P-C4' energy: -15.224
flat angles P-C4'-P energy: -13.641
tors. eta vs tors. theta energy: -22.242
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 153
Temperature: 1.250000
Total energy: -241.776324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.776324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.776324 (E_RNA)
where:
Base-Base interactions energy: -148.332
where: short stacking energy: -68.354
Base-Backbone interact. energy: -0.550
local terms energy: -92.894485
where:
bonds (distance) C4'-P energy: -20.698
bonds (distance) P-C4' energy: -21.665
flat angles C4'-P-C4' energy: -18.308
flat angles P-C4'-P energy: -14.343
tors. eta vs tors. theta energy: -17.881
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 153
Temperature: 1.300000
Total energy: -163.691748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.691748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.691748 (E_RNA)
where:
Base-Base interactions energy: -91.425
where: short stacking energy: -45.320
Base-Backbone interact. energy: 0.620
local terms energy: -72.887151
where:
bonds (distance) C4'-P energy: -20.953
bonds (distance) P-C4' energy: -20.308
flat angles C4'-P-C4' energy: -16.563
flat angles P-C4'-P energy: -9.090
tors. eta vs tors. theta energy: -5.974
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 153
Temperature: 1.350000
Total energy: -100.347377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.347377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.347377 (E_RNA)
where:
Base-Base interactions energy: -36.294
where: short stacking energy: -32.285
Base-Backbone interact. energy: -0.346
local terms energy: -63.707147
where:
bonds (distance) C4'-P energy: -14.542
bonds (distance) P-C4' energy: -16.365
flat angles C4'-P-C4' energy: -20.483
flat angles P-C4'-P energy: -10.816
tors. eta vs tors. theta energy: -1.501
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 154
Temperature: 0.900000
Total energy: -341.368967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.368967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.368967 (E_RNA)
where:
Base-Base interactions energy: -245.207
where: short stacking energy: -96.612
Base-Backbone interact. energy: -0.501
local terms energy: -95.660726
where:
bonds (distance) C4'-P energy: -19.210
bonds (distance) P-C4' energy: -20.872
flat angles C4'-P-C4' energy: -18.670
flat angles P-C4'-P energy: -14.572
tors. eta vs tors. theta energy: -22.336
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 154
Temperature: 0.950000
Total energy: -308.231059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.231059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.231059 (E_RNA)
where:
Base-Base interactions energy: -205.137
where: short stacking energy: -104.381
Base-Backbone interact. energy: -0.948
local terms energy: -102.146417
where:
bonds (distance) C4'-P energy: -19.006
bonds (distance) P-C4' energy: -22.861
flat angles C4'-P-C4' energy: -19.819
flat angles P-C4'-P energy: -11.403
tors. eta vs tors. theta energy: -29.058
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 154
Temperature: 1.000000
Total energy: -287.245895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.245895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.245895 (E_RNA)
where:
Base-Base interactions energy: -188.854
where: short stacking energy: -82.210
Base-Backbone interact. energy: -1.190
local terms energy: -97.201705
where:
bonds (distance) C4'-P energy: -20.113
bonds (distance) P-C4' energy: -18.235
flat angles C4'-P-C4' energy: -24.205
flat angles P-C4'-P energy: -10.276
tors. eta vs tors. theta energy: -24.373
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 154
Temperature: 1.050000
Total energy: -245.427535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.427535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.427535 (E_RNA)
where:
Base-Base interactions energy: -163.639
where: short stacking energy: -77.007
Base-Backbone interact. energy: 0.549
local terms energy: -82.337193
where:
bonds (distance) C4'-P energy: -13.820
bonds (distance) P-C4' energy: -20.989
flat angles C4'-P-C4' energy: -18.554
flat angles P-C4'-P energy: -8.995
tors. eta vs tors. theta energy: -19.979
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 154
Temperature: 1.100000
Total energy: -246.791969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.791969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.791969 (E_RNA)
where:
Base-Base interactions energy: -161.149
where: short stacking energy: -68.028
Base-Backbone interact. energy: -2.578
local terms energy: -83.064206
where:
bonds (distance) C4'-P energy: -15.709
bonds (distance) P-C4' energy: -20.701
flat angles C4'-P-C4' energy: -18.606
flat angles P-C4'-P energy: -12.492
tors. eta vs tors. theta energy: -15.557
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 154
Temperature: 1.150000
Total energy: -254.724703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.724703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.724703 (E_RNA)
where:
Base-Base interactions energy: -177.194
where: short stacking energy: -79.243
Base-Backbone interact. energy: -0.796
local terms energy: -76.734322
where:
bonds (distance) C4'-P energy: -6.928
bonds (distance) P-C4' energy: -17.341
flat angles C4'-P-C4' energy: -16.436
flat angles P-C4'-P energy: -14.635
tors. eta vs tors. theta energy: -21.394
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 154
Temperature: 1.200000
Total energy: -238.529571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.529571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.529571 (E_RNA)
where:
Base-Base interactions energy: -170.762
where: short stacking energy: -83.571
Base-Backbone interact. energy: 0.136
local terms energy: -67.903942
where:
bonds (distance) C4'-P energy: -4.661
bonds (distance) P-C4' energy: -15.515
flat angles C4'-P-C4' energy: -22.646
flat angles P-C4'-P energy: -5.297
tors. eta vs tors. theta energy: -19.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 154
Temperature: 1.250000
Total energy: -215.719596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.719596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.719596 (E_RNA)
where:
Base-Base interactions energy: -142.003
where: short stacking energy: -50.456
Base-Backbone interact. energy: -0.068
local terms energy: -73.648156
where:
bonds (distance) C4'-P energy: -14.934
bonds (distance) P-C4' energy: -17.744
flat angles C4'-P-C4' energy: -20.206
flat angles P-C4'-P energy: -11.917
tors. eta vs tors. theta energy: -8.847
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 154
Temperature: 1.300000
Total energy: -107.486174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.486174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.486174 (E_RNA)
where:
Base-Base interactions energy: -46.637
where: short stacking energy: -46.637
Base-Backbone interact. energy: -0.030
local terms energy: -60.818270
where:
bonds (distance) C4'-P energy: -17.886
bonds (distance) P-C4' energy: -15.925
flat angles C4'-P-C4' energy: -15.627
flat angles P-C4'-P energy: -6.169
tors. eta vs tors. theta energy: -5.211
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 154
Temperature: 1.350000
Total energy: -160.357599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.357599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.357599 (E_RNA)
where:
Base-Base interactions energy: -92.453
where: short stacking energy: -47.516
Base-Backbone interact. energy: -0.160
local terms energy: -67.744682
where:
bonds (distance) C4'-P energy: -20.315
bonds (distance) P-C4' energy: -16.600
flat angles C4'-P-C4' energy: -10.299
flat angles P-C4'-P energy: -11.080
tors. eta vs tors. theta energy: -9.451
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 155
Temperature: 0.900000
Total energy: -337.377764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.377764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.377764 (E_RNA)
where:
Base-Base interactions energy: -251.703
where: short stacking energy: -100.503
Base-Backbone interact. energy: -0.573
local terms energy: -85.101787
where:
bonds (distance) C4'-P energy: -11.766
bonds (distance) P-C4' energy: -21.602
flat angles C4'-P-C4' energy: -17.571
flat angles P-C4'-P energy: -12.724
tors. eta vs tors. theta energy: -21.439
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 155
Temperature: 0.950000
Total energy: -305.283002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.283002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.283002 (E_RNA)
where:
Base-Base interactions energy: -212.704
where: short stacking energy: -92.902
Base-Backbone interact. energy: -0.559
local terms energy: -92.019475
where:
bonds (distance) C4'-P energy: -17.723
bonds (distance) P-C4' energy: -21.332
flat angles C4'-P-C4' energy: -20.789
flat angles P-C4'-P energy: -5.765
tors. eta vs tors. theta energy: -26.410
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 155
Temperature: 1.000000
Total energy: -294.602426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.602426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.602426 (E_RNA)
where:
Base-Base interactions energy: -199.309
where: short stacking energy: -93.803
Base-Backbone interact. energy: -0.562
local terms energy: -94.731916
where:
bonds (distance) C4'-P energy: -20.403
bonds (distance) P-C4' energy: -19.666
flat angles C4'-P-C4' energy: -18.142
flat angles P-C4'-P energy: -13.078
tors. eta vs tors. theta energy: -23.442
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 155
Temperature: 1.050000
Total energy: -247.425603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.425603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.425603 (E_RNA)
where:
Base-Base interactions energy: -160.084
where: short stacking energy: -77.454
Base-Backbone interact. energy: 0.763
local terms energy: -88.104267
where:
bonds (distance) C4'-P energy: -19.605
bonds (distance) P-C4' energy: -22.600
flat angles C4'-P-C4' energy: -19.738
flat angles P-C4'-P energy: -9.670
tors. eta vs tors. theta energy: -16.493
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 155
Temperature: 1.100000
Total energy: -238.137528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.137528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.137528 (E_RNA)
where:
Base-Base interactions energy: -148.962
where: short stacking energy: -79.456
Base-Backbone interact. energy: -0.051
local terms energy: -89.124633
where:
bonds (distance) C4'-P energy: -13.929
bonds (distance) P-C4' energy: -18.815
flat angles C4'-P-C4' energy: -21.689
flat angles P-C4'-P energy: -16.667
tors. eta vs tors. theta energy: -18.024
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 155
Temperature: 1.150000
Total energy: -242.487488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.487488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.487488 (E_RNA)
where:
Base-Base interactions energy: -155.265
where: short stacking energy: -88.736
Base-Backbone interact. energy: -1.339
local terms energy: -85.883343
where:
bonds (distance) C4'-P energy: -17.104
bonds (distance) P-C4' energy: -18.386
flat angles C4'-P-C4' energy: -20.089
flat angles P-C4'-P energy: -8.564
tors. eta vs tors. theta energy: -21.741
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 155
Temperature: 1.200000
Total energy: -226.108536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.108536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.108536 (E_RNA)
where:
Base-Base interactions energy: -148.646
where: short stacking energy: -72.326
Base-Backbone interact. energy: -1.038
local terms energy: -76.424217
where:
bonds (distance) C4'-P energy: -16.409
bonds (distance) P-C4' energy: -12.712
flat angles C4'-P-C4' energy: -17.664
flat angles P-C4'-P energy: -11.559
tors. eta vs tors. theta energy: -18.080
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 155
Temperature: 1.250000
Total energy: -235.710603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.710603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.710603 (E_RNA)
where:
Base-Base interactions energy: -159.610
where: short stacking energy: -71.720
Base-Backbone interact. energy: -0.715
local terms energy: -75.385012
where:
bonds (distance) C4'-P energy: -15.830
bonds (distance) P-C4' energy: -16.255
flat angles C4'-P-C4' energy: -22.501
flat angles P-C4'-P energy: -8.990
tors. eta vs tors. theta energy: -11.809
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 155
Temperature: 1.300000
Total energy: -103.685487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.685487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.685487 (E_RNA)
where:
Base-Base interactions energy: -37.051
where: short stacking energy: -31.009
Base-Backbone interact. energy: -0.201
local terms energy: -66.434000
where:
bonds (distance) C4'-P energy: -18.589
bonds (distance) P-C4' energy: -18.599
flat angles C4'-P-C4' energy: -12.541
flat angles P-C4'-P energy: -13.384
tors. eta vs tors. theta energy: -3.321
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 155
Temperature: 1.350000
Total energy: -178.420197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.420197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.420197 (E_RNA)
where:
Base-Base interactions energy: -113.188
where: short stacking energy: -69.792
Base-Backbone interact. energy: -0.067
local terms energy: -65.165323
where:
bonds (distance) C4'-P energy: -16.523
bonds (distance) P-C4' energy: -12.850
flat angles C4'-P-C4' energy: -19.354
flat angles P-C4'-P energy: -2.647
tors. eta vs tors. theta energy: -13.791
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 156
Temperature: 0.900000
Total energy: -331.048310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.048310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.048310 (E_RNA)
where:
Base-Base interactions energy: -240.889
where: short stacking energy: -91.024
Base-Backbone interact. energy: -0.030
local terms energy: -90.129494
where:
bonds (distance) C4'-P energy: -21.724
bonds (distance) P-C4' energy: -18.124
flat angles C4'-P-C4' energy: -17.310
flat angles P-C4'-P energy: -10.886
tors. eta vs tors. theta energy: -22.085
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 156
Temperature: 0.950000
Total energy: -297.540286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.540286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.540286 (E_RNA)
where:
Base-Base interactions energy: -197.408
where: short stacking energy: -94.514
Base-Backbone interact. energy: -0.587
local terms energy: -99.545338
where:
bonds (distance) C4'-P energy: -19.649
bonds (distance) P-C4' energy: -15.960
flat angles C4'-P-C4' energy: -18.319
flat angles P-C4'-P energy: -16.045
tors. eta vs tors. theta energy: -29.572
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 156
Temperature: 1.000000
Total energy: -288.601119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.601119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.601119 (E_RNA)
where:
Base-Base interactions energy: -194.758
where: short stacking energy: -81.344
Base-Backbone interact. energy: -0.754
local terms energy: -93.088702
where:
bonds (distance) C4'-P energy: -22.059
bonds (distance) P-C4' energy: -15.237
flat angles C4'-P-C4' energy: -21.955
flat angles P-C4'-P energy: -9.989
tors. eta vs tors. theta energy: -23.850
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 156
Temperature: 1.050000
Total energy: -265.742242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.742242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.742242 (E_RNA)
where:
Base-Base interactions energy: -171.314
where: short stacking energy: -82.957
Base-Backbone interact. energy: -0.089
local terms energy: -94.339950
where:
bonds (distance) C4'-P energy: -19.365
bonds (distance) P-C4' energy: -17.821
flat angles C4'-P-C4' energy: -18.974
flat angles P-C4'-P energy: -14.711
tors. eta vs tors. theta energy: -23.470
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 156
Temperature: 1.100000
Total energy: -256.063671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.063671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.063671 (E_RNA)
where:
Base-Base interactions energy: -168.878
where: short stacking energy: -82.999
Base-Backbone interact. energy: -0.070
local terms energy: -87.116108
where:
bonds (distance) C4'-P energy: -10.753
bonds (distance) P-C4' energy: -20.249
flat angles C4'-P-C4' energy: -20.248
flat angles P-C4'-P energy: -16.383
tors. eta vs tors. theta energy: -19.483
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 156
Temperature: 1.150000
Total energy: -239.789085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.789085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.789085 (E_RNA)
where:
Base-Base interactions energy: -153.293
where: short stacking energy: -73.574
Base-Backbone interact. energy: -0.146
local terms energy: -86.349406
where:
bonds (distance) C4'-P energy: -15.063
bonds (distance) P-C4' energy: -20.790
flat angles C4'-P-C4' energy: -18.073
flat angles P-C4'-P energy: -16.587
tors. eta vs tors. theta energy: -15.836
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 156
Temperature: 1.200000
Total energy: -237.002347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.002347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.002347 (E_RNA)
where:
Base-Base interactions energy: -152.258
where: short stacking energy: -68.720
Base-Backbone interact. energy: 0.960
local terms energy: -85.704635
where:
bonds (distance) C4'-P energy: -15.683
bonds (distance) P-C4' energy: -17.758
flat angles C4'-P-C4' energy: -19.416
flat angles P-C4'-P energy: -15.274
tors. eta vs tors. theta energy: -17.574
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 156
Temperature: 1.250000
Total energy: -204.722870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.722870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.722870 (E_RNA)
where:
Base-Base interactions energy: -138.598
where: short stacking energy: -66.395
Base-Backbone interact. energy: 5.667
local terms energy: -71.791342
where:
bonds (distance) C4'-P energy: -16.179
bonds (distance) P-C4' energy: -16.111
flat angles C4'-P-C4' energy: -18.489
flat angles P-C4'-P energy: -10.600
tors. eta vs tors. theta energy: -10.412
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 156
Temperature: 1.300000
Total energy: -170.029456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.029456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.029456 (E_RNA)
where:
Base-Base interactions energy: -96.148
where: short stacking energy: -48.482
Base-Backbone interact. energy: 0.023
local terms energy: -73.904256
where:
bonds (distance) C4'-P energy: -16.201
bonds (distance) P-C4' energy: -20.832
flat angles C4'-P-C4' energy: -16.878
flat angles P-C4'-P energy: -8.170
tors. eta vs tors. theta energy: -11.824
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 156
Temperature: 1.350000
Total energy: -98.893188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.893188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.893188 (E_RNA)
where:
Base-Base interactions energy: -30.141
where: short stacking energy: -25.937
Base-Backbone interact. energy: -0.034
local terms energy: -68.717639
where:
bonds (distance) C4'-P energy: -18.691
bonds (distance) P-C4' energy: -19.703
flat angles C4'-P-C4' energy: -15.277
flat angles P-C4'-P energy: -12.653
tors. eta vs tors. theta energy: -2.394
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 157
Temperature: 0.900000
Total energy: -327.593198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.593198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.593198 (E_RNA)
where:
Base-Base interactions energy: -240.164
where: short stacking energy: -93.670
Base-Backbone interact. energy: -0.807
local terms energy: -86.622227
where:
bonds (distance) C4'-P energy: -15.347
bonds (distance) P-C4' energy: -17.439
flat angles C4'-P-C4' energy: -21.597
flat angles P-C4'-P energy: -13.756
tors. eta vs tors. theta energy: -18.483
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 157
Temperature: 0.950000
Total energy: -306.493670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.493670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.493670 (E_RNA)
where:
Base-Base interactions energy: -204.037
where: short stacking energy: -93.781
Base-Backbone interact. energy: -1.626
local terms energy: -100.830462
where:
bonds (distance) C4'-P energy: -17.179
bonds (distance) P-C4' energy: -16.800
flat angles C4'-P-C4' energy: -22.456
flat angles P-C4'-P energy: -13.940
tors. eta vs tors. theta energy: -30.456
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 157
Temperature: 1.000000
Total energy: -284.987514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.987514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.987514 (E_RNA)
where:
Base-Base interactions energy: -191.659
where: short stacking energy: -93.204
Base-Backbone interact. energy: -0.440
local terms energy: -92.888814
where:
bonds (distance) C4'-P energy: -16.992
bonds (distance) P-C4' energy: -20.027
flat angles C4'-P-C4' energy: -18.581
flat angles P-C4'-P energy: -16.942
tors. eta vs tors. theta energy: -20.347
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 157
Temperature: 1.050000
Total energy: -257.852446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.852446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.852446 (E_RNA)
where:
Base-Base interactions energy: -178.005
where: short stacking energy: -85.259
Base-Backbone interact. energy: 1.802
local terms energy: -81.649842
where:
bonds (distance) C4'-P energy: -15.915
bonds (distance) P-C4' energy: -17.570
flat angles C4'-P-C4' energy: -19.325
flat angles P-C4'-P energy: -10.939
tors. eta vs tors. theta energy: -17.901
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 157
Temperature: 1.100000
Total energy: -257.767520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.767520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.767520 (E_RNA)
where:
Base-Base interactions energy: -167.253
where: short stacking energy: -75.233
Base-Backbone interact. energy: -0.256
local terms energy: -90.257732
where:
bonds (distance) C4'-P energy: -18.812
bonds (distance) P-C4' energy: -18.871
flat angles C4'-P-C4' energy: -19.343
flat angles P-C4'-P energy: -12.851
tors. eta vs tors. theta energy: -20.380
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 157
Temperature: 1.150000
Total energy: -258.135512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.135512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.135512 (E_RNA)
where:
Base-Base interactions energy: -161.510
where: short stacking energy: -78.552
Base-Backbone interact. energy: -0.022
local terms energy: -96.603688
where:
bonds (distance) C4'-P energy: -21.334
bonds (distance) P-C4' energy: -19.427
flat angles C4'-P-C4' energy: -20.847
flat angles P-C4'-P energy: -15.648
tors. eta vs tors. theta energy: -19.347
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 157
Temperature: 1.200000
Total energy: -227.167231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.167231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.167231 (E_RNA)
where:
Base-Base interactions energy: -142.673
where: short stacking energy: -69.008
Base-Backbone interact. energy: -0.746
local terms energy: -83.748613
where:
bonds (distance) C4'-P energy: -19.853
bonds (distance) P-C4' energy: -18.911
flat angles C4'-P-C4' energy: -21.097
flat angles P-C4'-P energy: -9.308
tors. eta vs tors. theta energy: -14.579
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 157
Temperature: 1.250000
Total energy: -209.856118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.856118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.856118 (E_RNA)
where:
Base-Base interactions energy: -132.752
where: short stacking energy: -80.594
Base-Backbone interact. energy: -0.051
local terms energy: -77.052910
where:
bonds (distance) C4'-P energy: -10.658
bonds (distance) P-C4' energy: -16.420
flat angles C4'-P-C4' energy: -22.773
flat angles P-C4'-P energy: -8.280
tors. eta vs tors. theta energy: -18.922
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 157
Temperature: 1.300000
Total energy: -211.256574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.256574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.256574 (E_RNA)
where:
Base-Base interactions energy: -137.790
where: short stacking energy: -63.824
Base-Backbone interact. energy: 0.228
local terms energy: -73.694813
where:
bonds (distance) C4'-P energy: -16.769
bonds (distance) P-C4' energy: -17.824
flat angles C4'-P-C4' energy: -15.343
flat angles P-C4'-P energy: -11.792
tors. eta vs tors. theta energy: -11.967
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 157
Temperature: 1.350000
Total energy: -116.531817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.531817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.531817 (E_RNA)
where:
Base-Base interactions energy: -52.527
where: short stacking energy: -45.544
Base-Backbone interact. energy: -0.048
local terms energy: -63.957310
where:
bonds (distance) C4'-P energy: -15.313
bonds (distance) P-C4' energy: -14.948
flat angles C4'-P-C4' energy: -14.767
flat angles P-C4'-P energy: -8.686
tors. eta vs tors. theta energy: -10.243
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 158
Temperature: 0.900000
Total energy: -329.081406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.081406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.081406 (E_RNA)
where:
Base-Base interactions energy: -234.276
where: short stacking energy: -96.660
Base-Backbone interact. energy: -0.436
local terms energy: -94.369923
where:
bonds (distance) C4'-P energy: -19.318
bonds (distance) P-C4' energy: -17.666
flat angles C4'-P-C4' energy: -23.858
flat angles P-C4'-P energy: -14.166
tors. eta vs tors. theta energy: -19.362
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 158
Temperature: 0.950000
Total energy: -303.287907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.287907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.287907 (E_RNA)
where:
Base-Base interactions energy: -205.295
where: short stacking energy: -103.478
Base-Backbone interact. energy: 0.365
local terms energy: -98.357799
where:
bonds (distance) C4'-P energy: -18.888
bonds (distance) P-C4' energy: -18.608
flat angles C4'-P-C4' energy: -17.870
flat angles P-C4'-P energy: -15.672
tors. eta vs tors. theta energy: -27.319
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 158
Temperature: 1.000000
Total energy: -269.520644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.520644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.520644 (E_RNA)
where:
Base-Base interactions energy: -180.388
where: short stacking energy: -94.535
Base-Backbone interact. energy: -0.247
local terms energy: -88.886137
where:
bonds (distance) C4'-P energy: -13.647
bonds (distance) P-C4' energy: -17.392
flat angles C4'-P-C4' energy: -21.796
flat angles P-C4'-P energy: -12.665
tors. eta vs tors. theta energy: -23.387
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 158
Temperature: 1.050000
Total energy: -297.256498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.256498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.256498 (E_RNA)
where:
Base-Base interactions energy: -208.948
where: short stacking energy: -89.182
Base-Backbone interact. energy: -1.243
local terms energy: -87.065801
where:
bonds (distance) C4'-P energy: -19.429
bonds (distance) P-C4' energy: -18.921
flat angles C4'-P-C4' energy: -16.512
flat angles P-C4'-P energy: -8.751
tors. eta vs tors. theta energy: -23.453
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 158
Temperature: 1.100000
Total energy: -258.381201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.381201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.381201 (E_RNA)
where:
Base-Base interactions energy: -172.390
where: short stacking energy: -74.662
Base-Backbone interact. energy: -0.005
local terms energy: -85.986027
where:
bonds (distance) C4'-P energy: -19.472
bonds (distance) P-C4' energy: -19.628
flat angles C4'-P-C4' energy: -14.884
flat angles P-C4'-P energy: -15.391
tors. eta vs tors. theta energy: -16.611
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 158
Temperature: 1.150000
Total energy: -232.932052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.932052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.932052 (E_RNA)
where:
Base-Base interactions energy: -148.050
where: short stacking energy: -65.635
Base-Backbone interact. energy: -0.303
local terms energy: -84.579623
where:
bonds (distance) C4'-P energy: -20.855
bonds (distance) P-C4' energy: -18.013
flat angles C4'-P-C4' energy: -18.300
flat angles P-C4'-P energy: -14.911
tors. eta vs tors. theta energy: -12.501
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 158
Temperature: 1.200000
Total energy: -227.295505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.295505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.295505 (E_RNA)
where:
Base-Base interactions energy: -145.669
where: short stacking energy: -71.885
Base-Backbone interact. energy: -0.010
local terms energy: -81.616756
where:
bonds (distance) C4'-P energy: -18.146
bonds (distance) P-C4' energy: -15.056
flat angles C4'-P-C4' energy: -19.748
flat angles P-C4'-P energy: -15.582
tors. eta vs tors. theta energy: -13.085
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 158
Temperature: 1.250000
Total energy: -183.677120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.677120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.677120 (E_RNA)
where:
Base-Base interactions energy: -106.841
where: short stacking energy: -53.332
Base-Backbone interact. energy: -0.258
local terms energy: -76.577987
where:
bonds (distance) C4'-P energy: -16.084
bonds (distance) P-C4' energy: -14.535
flat angles C4'-P-C4' energy: -20.799
flat angles P-C4'-P energy: -13.695
tors. eta vs tors. theta energy: -11.465
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 158
Temperature: 1.300000
Total energy: -206.970157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.970157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.970157 (E_RNA)
where:
Base-Base interactions energy: -127.745
where: short stacking energy: -50.079
Base-Backbone interact. energy: -0.315
local terms energy: -78.910700
where:
bonds (distance) C4'-P energy: -16.006
bonds (distance) P-C4' energy: -16.486
flat angles C4'-P-C4' energy: -20.986
flat angles P-C4'-P energy: -12.660
tors. eta vs tors. theta energy: -12.774
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 158
Temperature: 1.350000
Total energy: -95.714054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.714054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.714054 (E_RNA)
where:
Base-Base interactions energy: -42.237
where: short stacking energy: -39.335
Base-Backbone interact. energy: -0.246
local terms energy: -53.231470
where:
bonds (distance) C4'-P energy: -16.119
bonds (distance) P-C4' energy: -16.471
flat angles C4'-P-C4' energy: -17.462
flat angles P-C4'-P energy: -3.810
tors. eta vs tors. theta energy: 0.630
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 159
Temperature: 0.900000
Total energy: -342.789661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.789661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.789661 (E_RNA)
where:
Base-Base interactions energy: -237.858
where: short stacking energy: -92.572
Base-Backbone interact. energy: 0.159
local terms energy: -105.090446
where:
bonds (distance) C4'-P energy: -21.761
bonds (distance) P-C4' energy: -22.783
flat angles C4'-P-C4' energy: -20.393
flat angles P-C4'-P energy: -14.172
tors. eta vs tors. theta energy: -25.981
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 159
Temperature: 0.950000
Total energy: -304.460963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.460963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.460963 (E_RNA)
where:
Base-Base interactions energy: -210.756
where: short stacking energy: -98.051
Base-Backbone interact. energy: -0.752
local terms energy: -92.953002
where:
bonds (distance) C4'-P energy: -15.501
bonds (distance) P-C4' energy: -18.433
flat angles C4'-P-C4' energy: -19.573
flat angles P-C4'-P energy: -11.657
tors. eta vs tors. theta energy: -27.789
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 159
Temperature: 1.000000
Total energy: -260.437882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.437882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.437882 (E_RNA)
where:
Base-Base interactions energy: -170.126
where: short stacking energy: -84.797
Base-Backbone interact. energy: -0.236
local terms energy: -90.075531
where:
bonds (distance) C4'-P energy: -18.913
bonds (distance) P-C4' energy: -16.558
flat angles C4'-P-C4' energy: -18.509
flat angles P-C4'-P energy: -11.344
tors. eta vs tors. theta energy: -24.751
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 159
Temperature: 1.050000
Total energy: -260.317850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.317850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.317850 (E_RNA)
where:
Base-Base interactions energy: -176.151
where: short stacking energy: -88.163
Base-Backbone interact. energy: -0.001
local terms energy: -84.165671
where:
bonds (distance) C4'-P energy: -21.782
bonds (distance) P-C4' energy: -8.911
flat angles C4'-P-C4' energy: -18.674
flat angles P-C4'-P energy: -10.217
tors. eta vs tors. theta energy: -24.581
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 159
Temperature: 1.100000
Total energy: -290.743352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.743352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.743352 (E_RNA)
where:
Base-Base interactions energy: -197.013
where: short stacking energy: -90.706
Base-Backbone interact. energy: -0.608
local terms energy: -93.122632
where:
bonds (distance) C4'-P energy: -17.597
bonds (distance) P-C4' energy: -16.631
flat angles C4'-P-C4' energy: -18.834
flat angles P-C4'-P energy: -15.665
tors. eta vs tors. theta energy: -24.396
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 159
Temperature: 1.150000
Total energy: -235.124847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.124847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.124847 (E_RNA)
where:
Base-Base interactions energy: -157.883
where: short stacking energy: -74.119
Base-Backbone interact. energy: 0.275
local terms energy: -77.517640
where:
bonds (distance) C4'-P energy: -14.059
bonds (distance) P-C4' energy: -14.538
flat angles C4'-P-C4' energy: -17.615
flat angles P-C4'-P energy: -10.102
tors. eta vs tors. theta energy: -21.204
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 159
Temperature: 1.200000
Total energy: -222.453124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.453124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.453124 (E_RNA)
where:
Base-Base interactions energy: -145.092
where: short stacking energy: -62.181
Base-Backbone interact. energy: 0.692
local terms energy: -78.052627
where:
bonds (distance) C4'-P energy: -17.707
bonds (distance) P-C4' energy: -17.163
flat angles C4'-P-C4' energy: -16.247
flat angles P-C4'-P energy: -14.210
tors. eta vs tors. theta energy: -12.725
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 159
Temperature: 1.250000
Total energy: -210.762642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.762642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.762642 (E_RNA)
where:
Base-Base interactions energy: -147.608
where: short stacking energy: -76.919
Base-Backbone interact. energy: -0.179
local terms energy: -62.975927
where:
bonds (distance) C4'-P energy: -14.678
bonds (distance) P-C4' energy: -22.105
flat angles C4'-P-C4' energy: -13.726
flat angles P-C4'-P energy: 1.121
tors. eta vs tors. theta energy: -13.588
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 159
Temperature: 1.300000
Total energy: -162.018652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.018652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.018652 (E_RNA)
where:
Base-Base interactions energy: -100.153
where: short stacking energy: -57.930
Base-Backbone interact. energy: 0.301
local terms energy: -62.166636
where:
bonds (distance) C4'-P energy: -18.432
bonds (distance) P-C4' energy: -13.720
flat angles C4'-P-C4' energy: -16.435
flat angles P-C4'-P energy: -6.547
tors. eta vs tors. theta energy: -7.033
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 159
Temperature: 1.350000
Total energy: -94.624772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.624772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.624772 (E_RNA)
where:
Base-Base interactions energy: -36.373
where: short stacking energy: -30.541
Base-Backbone interact. energy: -0.090
local terms energy: -58.161617
where:
bonds (distance) C4'-P energy: -15.265
bonds (distance) P-C4' energy: -21.584
flat angles C4'-P-C4' energy: -10.968
flat angles P-C4'-P energy: -7.151
tors. eta vs tors. theta energy: -3.193
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 160
Temperature: 0.900000
Total energy: -336.088170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.088170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.088170 (E_RNA)
where:
Base-Base interactions energy: -236.213
where: short stacking energy: -95.698
Base-Backbone interact. energy: -0.558
local terms energy: -99.316458
where:
bonds (distance) C4'-P energy: -20.148
bonds (distance) P-C4' energy: -21.032
flat angles C4'-P-C4' energy: -21.472
flat angles P-C4'-P energy: -11.765
tors. eta vs tors. theta energy: -24.900
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 160
Temperature: 0.950000
Total energy: -308.087896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.087896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.087896 (E_RNA)
where:
Base-Base interactions energy: -203.582
where: short stacking energy: -92.146
Base-Backbone interact. energy: -1.431
local terms energy: -103.074654
where:
bonds (distance) C4'-P energy: -20.066
bonds (distance) P-C4' energy: -19.784
flat angles C4'-P-C4' energy: -22.324
flat angles P-C4'-P energy: -13.144
tors. eta vs tors. theta energy: -27.757
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 160
Temperature: 1.000000
Total energy: -277.820379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.820379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.820379 (E_RNA)
where:
Base-Base interactions energy: -182.739
where: short stacking energy: -100.394
Base-Backbone interact. energy: -0.187
local terms energy: -94.894678
where:
bonds (distance) C4'-P energy: -17.336
bonds (distance) P-C4' energy: -20.195
flat angles C4'-P-C4' energy: -16.238
flat angles P-C4'-P energy: -13.974
tors. eta vs tors. theta energy: -27.152
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 160
Temperature: 1.050000
Total energy: -263.308143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.308143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.308143 (E_RNA)
where:
Base-Base interactions energy: -180.169
where: short stacking energy: -81.678
Base-Backbone interact. energy: -0.139
local terms energy: -82.999679
where:
bonds (distance) C4'-P energy: -17.972
bonds (distance) P-C4' energy: -17.198
flat angles C4'-P-C4' energy: -17.003
flat angles P-C4'-P energy: -6.414
tors. eta vs tors. theta energy: -24.413
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 160
Temperature: 1.100000
Total energy: -291.343891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.343891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.343891 (E_RNA)
where:
Base-Base interactions energy: -197.572
where: short stacking energy: -92.440
Base-Backbone interact. energy: -1.117
local terms energy: -92.654270
where:
bonds (distance) C4'-P energy: -11.737
bonds (distance) P-C4' energy: -17.556
flat angles C4'-P-C4' energy: -22.515
flat angles P-C4'-P energy: -16.890
tors. eta vs tors. theta energy: -23.956
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 160
Temperature: 1.150000
Total energy: -249.257967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.257967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.257967 (E_RNA)
where:
Base-Base interactions energy: -165.121
where: short stacking energy: -80.536
Base-Backbone interact. energy: -0.415
local terms energy: -83.721377
where:
bonds (distance) C4'-P energy: -12.754
bonds (distance) P-C4' energy: -20.925
flat angles C4'-P-C4' energy: -15.668
flat angles P-C4'-P energy: -14.977
tors. eta vs tors. theta energy: -19.398
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 160
Temperature: 1.200000
Total energy: -247.380400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.380400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.380400 (E_RNA)
where:
Base-Base interactions energy: -164.217
where: short stacking energy: -70.933
Base-Backbone interact. energy: -0.139
local terms energy: -83.024228
where:
bonds (distance) C4'-P energy: -14.477
bonds (distance) P-C4' energy: -20.450
flat angles C4'-P-C4' energy: -19.972
flat angles P-C4'-P energy: -9.110
tors. eta vs tors. theta energy: -19.015
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 160
Temperature: 1.250000
Total energy: -225.154143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.154143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.154143 (E_RNA)
where:
Base-Base interactions energy: -146.850
where: short stacking energy: -63.782
Base-Backbone interact. energy: -0.265
local terms energy: -78.039427
where:
bonds (distance) C4'-P energy: -13.390
bonds (distance) P-C4' energy: -19.873
flat angles C4'-P-C4' energy: -18.616
flat angles P-C4'-P energy: -13.360
tors. eta vs tors. theta energy: -12.801
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 160
Temperature: 1.300000
Total energy: -167.414405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.414405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.414405 (E_RNA)
where:
Base-Base interactions energy: -98.200
where: short stacking energy: -53.146
Base-Backbone interact. energy: -1.026
local terms energy: -68.188982
where:
bonds (distance) C4'-P energy: -12.466
bonds (distance) P-C4' energy: -14.614
flat angles C4'-P-C4' energy: -21.073
flat angles P-C4'-P energy: -10.406
tors. eta vs tors. theta energy: -9.630
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 160
Temperature: 1.350000
Total energy: -106.768636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.768636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.768636 (E_RNA)
where:
Base-Base interactions energy: -40.230
where: short stacking energy: -40.230
Base-Backbone interact. energy: -0.132
local terms energy: -66.406304
where:
bonds (distance) C4'-P energy: -14.578
bonds (distance) P-C4' energy: -17.853
flat angles C4'-P-C4' energy: -15.717
flat angles P-C4'-P energy: -12.633
tors. eta vs tors. theta energy: -5.624
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 161
Temperature: 0.900000
Total energy: -347.383374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.383374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.383374 (E_RNA)
where:
Base-Base interactions energy: -243.272
where: short stacking energy: -104.222
Base-Backbone interact. energy: -0.986
local terms energy: -103.125849
where:
bonds (distance) C4'-P energy: -19.925
bonds (distance) P-C4' energy: -20.309
flat angles C4'-P-C4' energy: -21.299
flat angles P-C4'-P energy: -16.904
tors. eta vs tors. theta energy: -24.689
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 161
Temperature: 0.950000
Total energy: -315.704657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.704657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.704657 (E_RNA)
where:
Base-Base interactions energy: -221.681
where: short stacking energy: -96.303
Base-Backbone interact. energy: -0.842
local terms energy: -93.180734
where:
bonds (distance) C4'-P energy: -18.174
bonds (distance) P-C4' energy: -16.334
flat angles C4'-P-C4' energy: -21.998
flat angles P-C4'-P energy: -10.787
tors. eta vs tors. theta energy: -25.888
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 161
Temperature: 1.000000
Total energy: -275.337441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.337441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.337441 (E_RNA)
where:
Base-Base interactions energy: -183.720
where: short stacking energy: -89.768
Base-Backbone interact. energy: -0.100
local terms energy: -91.516914
where:
bonds (distance) C4'-P energy: -16.682
bonds (distance) P-C4' energy: -17.709
flat angles C4'-P-C4' energy: -17.242
flat angles P-C4'-P energy: -15.294
tors. eta vs tors. theta energy: -24.590
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 161
Temperature: 1.050000
Total energy: -278.448482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.448482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.448482 (E_RNA)
where:
Base-Base interactions energy: -187.340
where: short stacking energy: -81.197
Base-Backbone interact. energy: -1.702
local terms energy: -89.406686
where:
bonds (distance) C4'-P energy: -18.042
bonds (distance) P-C4' energy: -17.827
flat angles C4'-P-C4' energy: -19.384
flat angles P-C4'-P energy: -14.091
tors. eta vs tors. theta energy: -20.063
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 161
Temperature: 1.100000
Total energy: -266.111341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.111341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.111341 (E_RNA)
where:
Base-Base interactions energy: -173.885
where: short stacking energy: -92.538
Base-Backbone interact. energy: -0.258
local terms energy: -91.968364
where:
bonds (distance) C4'-P energy: -14.686
bonds (distance) P-C4' energy: -14.810
flat angles C4'-P-C4' energy: -22.509
flat angles P-C4'-P energy: -15.057
tors. eta vs tors. theta energy: -24.906
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 161
Temperature: 1.150000
Total energy: -254.643408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.643408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.643408 (E_RNA)
where:
Base-Base interactions energy: -166.398
where: short stacking energy: -70.328
Base-Backbone interact. energy: -0.129
local terms energy: -88.116514
where:
bonds (distance) C4'-P energy: -19.770
bonds (distance) P-C4' energy: -22.006
flat angles C4'-P-C4' energy: -13.737
flat angles P-C4'-P energy: -14.333
tors. eta vs tors. theta energy: -18.270
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 161
Temperature: 1.200000
Total energy: -240.823148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.823148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.823148 (E_RNA)
where:
Base-Base interactions energy: -159.729
where: short stacking energy: -63.725
Base-Backbone interact. energy: -0.332
local terms energy: -80.761674
where:
bonds (distance) C4'-P energy: -12.973
bonds (distance) P-C4' energy: -23.261
flat angles C4'-P-C4' energy: -18.764
flat angles P-C4'-P energy: -13.441
tors. eta vs tors. theta energy: -12.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 161
Temperature: 1.250000
Total energy: -221.280462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.280462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.280462 (E_RNA)
where:
Base-Base interactions energy: -141.931
where: short stacking energy: -51.154
Base-Backbone interact. energy: -1.541
local terms energy: -77.808756
where:
bonds (distance) C4'-P energy: -21.041
bonds (distance) P-C4' energy: -19.474
flat angles C4'-P-C4' energy: -14.071
flat angles P-C4'-P energy: -10.779
tors. eta vs tors. theta energy: -12.444
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 161
Temperature: 1.300000
Total energy: -178.270343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.270343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.270343 (E_RNA)
where:
Base-Base interactions energy: -100.874
where: short stacking energy: -50.301
Base-Backbone interact. energy: -0.462
local terms energy: -76.934118
where:
bonds (distance) C4'-P energy: -14.825
bonds (distance) P-C4' energy: -23.977
flat angles C4'-P-C4' energy: -13.616
flat angles P-C4'-P energy: -8.187
tors. eta vs tors. theta energy: -16.329
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 161
Temperature: 1.350000
Total energy: -103.473159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.473159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.473159 (E_RNA)
where:
Base-Base interactions energy: -53.371
where: short stacking energy: -26.881
Base-Backbone interact. energy: -0.242
local terms energy: -49.859636
where:
bonds (distance) C4'-P energy: -12.304
bonds (distance) P-C4' energy: -20.915
flat angles C4'-P-C4' energy: -16.146
flat angles P-C4'-P energy: -2.802
tors. eta vs tors. theta energy: 2.308
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 162
Temperature: 0.900000
Total energy: -348.134412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.134412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.134412 (E_RNA)
where:
Base-Base interactions energy: -244.829
where: short stacking energy: -102.743
Base-Backbone interact. energy: -0.998
local terms energy: -102.306824
where:
bonds (distance) C4'-P energy: -20.654
bonds (distance) P-C4' energy: -18.277
flat angles C4'-P-C4' energy: -22.342
flat angles P-C4'-P energy: -13.418
tors. eta vs tors. theta energy: -27.616
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 162
Temperature: 0.950000
Total energy: -303.323590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.323590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.323590 (E_RNA)
where:
Base-Base interactions energy: -204.339
where: short stacking energy: -99.439
Base-Backbone interact. energy: -1.381
local terms energy: -97.603793
where:
bonds (distance) C4'-P energy: -17.493
bonds (distance) P-C4' energy: -17.242
flat angles C4'-P-C4' energy: -23.067
flat angles P-C4'-P energy: -12.109
tors. eta vs tors. theta energy: -27.692
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 162
Temperature: 1.000000
Total energy: -273.964826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.964826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.964826 (E_RNA)
where:
Base-Base interactions energy: -180.885
where: short stacking energy: -87.133
Base-Backbone interact. energy: -0.048
local terms energy: -93.031310
where:
bonds (distance) C4'-P energy: -18.089
bonds (distance) P-C4' energy: -18.756
flat angles C4'-P-C4' energy: -20.149
flat angles P-C4'-P energy: -13.982
tors. eta vs tors. theta energy: -22.057
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 162
Temperature: 1.050000
Total energy: -287.006383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.006383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.006383 (E_RNA)
where:
Base-Base interactions energy: -197.391
where: short stacking energy: -76.392
Base-Backbone interact. energy: -2.140
local terms energy: -87.475820
where:
bonds (distance) C4'-P energy: -15.187
bonds (distance) P-C4' energy: -19.669
flat angles C4'-P-C4' energy: -19.204
flat angles P-C4'-P energy: -13.144
tors. eta vs tors. theta energy: -20.272
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 162
Temperature: 1.100000
Total energy: -253.972710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.972710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.972710 (E_RNA)
where:
Base-Base interactions energy: -165.960
where: short stacking energy: -79.206
Base-Backbone interact. energy: -0.379
local terms energy: -87.633622
where:
bonds (distance) C4'-P energy: -16.399
bonds (distance) P-C4' energy: -20.520
flat angles C4'-P-C4' energy: -19.975
flat angles P-C4'-P energy: -12.525
tors. eta vs tors. theta energy: -18.214
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 162
Temperature: 1.150000
Total energy: -238.286376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.286376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.286376 (E_RNA)
where:
Base-Base interactions energy: -154.496
where: short stacking energy: -73.718
Base-Backbone interact. energy: -0.006
local terms energy: -83.785095
where:
bonds (distance) C4'-P energy: -19.745
bonds (distance) P-C4' energy: -22.578
flat angles C4'-P-C4' energy: -19.549
flat angles P-C4'-P energy: -6.293
tors. eta vs tors. theta energy: -15.620
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 162
Temperature: 1.200000
Total energy: -225.717990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.717990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.717990 (E_RNA)
where:
Base-Base interactions energy: -147.392
where: short stacking energy: -61.301
Base-Backbone interact. energy: -1.209
local terms energy: -77.116633
where:
bonds (distance) C4'-P energy: -13.913
bonds (distance) P-C4' energy: -18.923
flat angles C4'-P-C4' energy: -19.064
flat angles P-C4'-P energy: -16.084
tors. eta vs tors. theta energy: -9.133
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 162
Temperature: 1.250000
Total energy: -220.251115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.251115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.251115 (E_RNA)
where:
Base-Base interactions energy: -146.306
where: short stacking energy: -62.845
Base-Backbone interact. energy: 1.569
local terms energy: -75.514884
where:
bonds (distance) C4'-P energy: -9.407
bonds (distance) P-C4' energy: -16.623
flat angles C4'-P-C4' energy: -21.297
flat angles P-C4'-P energy: -13.775
tors. eta vs tors. theta energy: -14.414
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 162
Temperature: 1.300000
Total energy: -110.154539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.154539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.154539 (E_RNA)
where:
Base-Base interactions energy: -50.776
where: short stacking energy: -30.210
Base-Backbone interact. energy: 0.446
local terms energy: -59.823936
where:
bonds (distance) C4'-P energy: -18.735
bonds (distance) P-C4' energy: -18.911
flat angles C4'-P-C4' energy: -17.157
flat angles P-C4'-P energy: -5.020
tors. eta vs tors. theta energy: -0.001
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 162
Temperature: 1.350000
Total energy: -157.836015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.836015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.836015 (E_RNA)
where:
Base-Base interactions energy: -90.292
where: short stacking energy: -43.405
Base-Backbone interact. energy: 1.106
local terms energy: -68.650739
where:
bonds (distance) C4'-P energy: -17.165
bonds (distance) P-C4' energy: -12.870
flat angles C4'-P-C4' energy: -18.974
flat angles P-C4'-P energy: -13.284
tors. eta vs tors. theta energy: -6.358
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 163
Temperature: 0.900000
Total energy: -347.181579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.181579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.181579 (E_RNA)
where:
Base-Base interactions energy: -244.895
where: short stacking energy: -96.435
Base-Backbone interact. energy: -0.884
local terms energy: -101.402659
where:
bonds (distance) C4'-P energy: -20.106
bonds (distance) P-C4' energy: -20.411
flat angles C4'-P-C4' energy: -23.697
flat angles P-C4'-P energy: -12.615
tors. eta vs tors. theta energy: -24.573
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 163
Temperature: 0.950000
Total energy: -311.005384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.005384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.005384 (E_RNA)
where:
Base-Base interactions energy: -216.998
where: short stacking energy: -96.066
Base-Backbone interact. energy: -0.473
local terms energy: -93.534664
where:
bonds (distance) C4'-P energy: -14.482
bonds (distance) P-C4' energy: -16.314
flat angles C4'-P-C4' energy: -24.002
flat angles P-C4'-P energy: -12.351
tors. eta vs tors. theta energy: -26.386
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 163
Temperature: 1.000000
Total energy: -283.928755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.928755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.928755 (E_RNA)
where:
Base-Base interactions energy: -182.405
where: short stacking energy: -97.667
Base-Backbone interact. energy: -0.002
local terms energy: -101.521874
where:
bonds (distance) C4'-P energy: -17.617
bonds (distance) P-C4' energy: -20.752
flat angles C4'-P-C4' energy: -22.767
flat angles P-C4'-P energy: -14.313
tors. eta vs tors. theta energy: -26.073
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 163
Temperature: 1.050000
Total energy: -291.855222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.855222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.855222 (E_RNA)
where:
Base-Base interactions energy: -200.344
where: short stacking energy: -86.690
Base-Backbone interact. energy: -1.745
local terms energy: -89.765938
where:
bonds (distance) C4'-P energy: -17.919
bonds (distance) P-C4' energy: -18.451
flat angles C4'-P-C4' energy: -20.416
flat angles P-C4'-P energy: -9.051
tors. eta vs tors. theta energy: -23.930
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 163
Temperature: 1.100000
Total energy: -245.481924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.481924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.481924 (E_RNA)
where:
Base-Base interactions energy: -150.506
where: short stacking energy: -77.743
Base-Backbone interact. energy: -0.095
local terms energy: -94.881517
where:
bonds (distance) C4'-P energy: -19.504
bonds (distance) P-C4' energy: -20.041
flat angles C4'-P-C4' energy: -19.449
flat angles P-C4'-P energy: -15.656
tors. eta vs tors. theta energy: -20.230
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 163
Temperature: 1.150000
Total energy: -266.272329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.272329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.272329 (E_RNA)
where:
Base-Base interactions energy: -176.761
where: short stacking energy: -78.324
Base-Backbone interact. energy: -0.207
local terms energy: -89.304836
where:
bonds (distance) C4'-P energy: -18.558
bonds (distance) P-C4' energy: -22.523
flat angles C4'-P-C4' energy: -19.231
flat angles P-C4'-P energy: -10.494
tors. eta vs tors. theta energy: -18.498
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 163
Temperature: 1.200000
Total energy: -223.696797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.696797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.696797 (E_RNA)
where:
Base-Base interactions energy: -146.353
where: short stacking energy: -74.187
Base-Backbone interact. energy: -0.406
local terms energy: -76.937617
where:
bonds (distance) C4'-P energy: -18.757
bonds (distance) P-C4' energy: -17.744
flat angles C4'-P-C4' energy: -13.314
flat angles P-C4'-P energy: -10.513
tors. eta vs tors. theta energy: -16.608
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 163
Temperature: 1.250000
Total energy: -229.796057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.796057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.796057 (E_RNA)
where:
Base-Base interactions energy: -157.152
where: short stacking energy: -63.197
Base-Backbone interact. energy: -1.403
local terms energy: -71.240406
where:
bonds (distance) C4'-P energy: -12.127
bonds (distance) P-C4' energy: -17.600
flat angles C4'-P-C4' energy: -18.590
flat angles P-C4'-P energy: -10.292
tors. eta vs tors. theta energy: -12.630
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 163
Temperature: 1.300000
Total energy: -112.416554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.416554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.416554 (E_RNA)
where:
Base-Base interactions energy: -54.041
where: short stacking energy: -49.945
Base-Backbone interact. energy: -0.180
local terms energy: -58.195370
where:
bonds (distance) C4'-P energy: -19.083
bonds (distance) P-C4' energy: -15.006
flat angles C4'-P-C4' energy: -12.786
flat angles P-C4'-P energy: -4.632
tors. eta vs tors. theta energy: -6.688
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 163
Temperature: 1.350000
Total energy: -146.581011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.581011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.581011 (E_RNA)
where:
Base-Base interactions energy: -92.016
where: short stacking energy: -50.403
Base-Backbone interact. energy: 0.961
local terms energy: -55.526139
where:
bonds (distance) C4'-P energy: -10.690
bonds (distance) P-C4' energy: -17.340
flat angles C4'-P-C4' energy: -21.387
flat angles P-C4'-P energy: -5.099
tors. eta vs tors. theta energy: -1.011
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 164
Temperature: 0.900000
Total energy: -344.645218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.645218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.645218 (E_RNA)
where:
Base-Base interactions energy: -246.414
where: short stacking energy: -98.180
Base-Backbone interact. energy: -0.661
local terms energy: -97.570074
where:
bonds (distance) C4'-P energy: -17.932
bonds (distance) P-C4' energy: -21.331
flat angles C4'-P-C4' energy: -22.913
flat angles P-C4'-P energy: -11.489
tors. eta vs tors. theta energy: -23.905
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 164
Temperature: 0.950000
Total energy: -312.740503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.740503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.740503 (E_RNA)
where:
Base-Base interactions energy: -217.193
where: short stacking energy: -92.686
Base-Backbone interact. energy: -0.049
local terms energy: -95.498399
where:
bonds (distance) C4'-P energy: -18.647
bonds (distance) P-C4' energy: -13.697
flat angles C4'-P-C4' energy: -21.410
flat angles P-C4'-P energy: -13.210
tors. eta vs tors. theta energy: -28.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 164
Temperature: 1.000000
Total energy: -298.015879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.015879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.015879 (E_RNA)
where:
Base-Base interactions energy: -211.195
where: short stacking energy: -94.858
Base-Backbone interact. energy: -0.437
local terms energy: -86.383371
where:
bonds (distance) C4'-P energy: -17.880
bonds (distance) P-C4' energy: -18.561
flat angles C4'-P-C4' energy: -20.065
flat angles P-C4'-P energy: -10.638
tors. eta vs tors. theta energy: -19.239
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 164
Temperature: 1.050000
Total energy: -259.088368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.088368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.088368 (E_RNA)
where:
Base-Base interactions energy: -167.227
where: short stacking energy: -90.913
Base-Backbone interact. energy: -0.403
local terms energy: -91.458854
where:
bonds (distance) C4'-P energy: -19.817
bonds (distance) P-C4' energy: -15.913
flat angles C4'-P-C4' energy: -17.682
flat angles P-C4'-P energy: -13.733
tors. eta vs tors. theta energy: -24.314
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 164
Temperature: 1.100000
Total energy: -259.456019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.456019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.456019 (E_RNA)
where:
Base-Base interactions energy: -175.818
where: short stacking energy: -80.140
Base-Backbone interact. energy: -0.081
local terms energy: -83.557225
where:
bonds (distance) C4'-P energy: -16.168
bonds (distance) P-C4' energy: -20.017
flat angles C4'-P-C4' energy: -19.279
flat angles P-C4'-P energy: -10.533
tors. eta vs tors. theta energy: -17.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 164
Temperature: 1.150000
Total energy: -268.489282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.489282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.489282 (E_RNA)
where:
Base-Base interactions energy: -169.873
where: short stacking energy: -81.860
Base-Backbone interact. energy: -0.753
local terms energy: -97.863943
where:
bonds (distance) C4'-P energy: -18.184
bonds (distance) P-C4' energy: -22.694
flat angles C4'-P-C4' energy: -18.555
flat angles P-C4'-P energy: -15.382
tors. eta vs tors. theta energy: -23.049
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 164
Temperature: 1.200000
Total energy: -243.927639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.927639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.927639 (E_RNA)
where:
Base-Base interactions energy: -165.952
where: short stacking energy: -77.957
Base-Backbone interact. energy: -0.598
local terms energy: -77.377263
where:
bonds (distance) C4'-P energy: -15.029
bonds (distance) P-C4' energy: -11.306
flat angles C4'-P-C4' energy: -18.902
flat angles P-C4'-P energy: -12.129
tors. eta vs tors. theta energy: -20.011
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 164
Temperature: 1.250000
Total energy: -208.866325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.866325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.866325 (E_RNA)
where:
Base-Base interactions energy: -140.662
where: short stacking energy: -58.777
Base-Backbone interact. energy: -0.282
local terms energy: -67.922705
where:
bonds (distance) C4'-P energy: -16.525
bonds (distance) P-C4' energy: -21.398
flat angles C4'-P-C4' energy: -13.907
flat angles P-C4'-P energy: -11.942
tors. eta vs tors. theta energy: -4.151
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 164
Temperature: 1.300000
Total energy: -116.138625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.138625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.138625 (E_RNA)
where:
Base-Base interactions energy: -61.169
where: short stacking energy: -40.137
Base-Backbone interact. energy: -0.089
local terms energy: -54.880579
where:
bonds (distance) C4'-P energy: -17.915
bonds (distance) P-C4' energy: -19.947
flat angles C4'-P-C4' energy: -14.640
flat angles P-C4'-P energy: -2.179
tors. eta vs tors. theta energy: -0.199
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 164
Temperature: 1.350000
Total energy: -113.369096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.369096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.369096 (E_RNA)
where:
Base-Base interactions energy: -67.664
where: short stacking energy: -11.560
Base-Backbone interact. energy: 0.104
local terms energy: -45.808670
where:
bonds (distance) C4'-P energy: -14.014
bonds (distance) P-C4' energy: -15.383
flat angles C4'-P-C4' energy: -19.168
flat angles P-C4'-P energy: -5.210
tors. eta vs tors. theta energy: 7.966
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 165
Temperature: 0.900000
Total energy: -346.792780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.792780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.792780 (E_RNA)
where:
Base-Base interactions energy: -247.544
where: short stacking energy: -93.738
Base-Backbone interact. energy: -0.671
local terms energy: -98.577886
where:
bonds (distance) C4'-P energy: -17.488
bonds (distance) P-C4' energy: -23.023
flat angles C4'-P-C4' energy: -21.877
flat angles P-C4'-P energy: -12.138
tors. eta vs tors. theta energy: -24.053
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 165
Temperature: 0.950000
Total energy: -310.159892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.159892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.159892 (E_RNA)
where:
Base-Base interactions energy: -212.181
where: short stacking energy: -92.898
Base-Backbone interact. energy: -0.362
local terms energy: -97.617163
where:
bonds (distance) C4'-P energy: -21.367
bonds (distance) P-C4' energy: -21.111
flat angles C4'-P-C4' energy: -18.857
flat angles P-C4'-P energy: -16.093
tors. eta vs tors. theta energy: -20.189
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 165
Temperature: 1.000000
Total energy: -301.869985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.869985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.869985 (E_RNA)
where:
Base-Base interactions energy: -203.794
where: short stacking energy: -89.680
Base-Backbone interact. energy: -0.873
local terms energy: -97.203077
where:
bonds (distance) C4'-P energy: -19.178
bonds (distance) P-C4' energy: -21.507
flat angles C4'-P-C4' energy: -20.421
flat angles P-C4'-P energy: -7.814
tors. eta vs tors. theta energy: -28.283
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 165
Temperature: 1.050000
Total energy: -258.655809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.655809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.655809 (E_RNA)
where:
Base-Base interactions energy: -169.021
where: short stacking energy: -89.453
Base-Backbone interact. energy: -0.155
local terms energy: -89.480424
where:
bonds (distance) C4'-P energy: -15.116
bonds (distance) P-C4' energy: -15.796
flat angles C4'-P-C4' energy: -20.321
flat angles P-C4'-P energy: -12.883
tors. eta vs tors. theta energy: -25.364
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 165
Temperature: 1.100000
Total energy: -243.399879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.399879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.399879 (E_RNA)
where:
Base-Base interactions energy: -157.248
where: short stacking energy: -80.336
Base-Backbone interact. energy: -0.024
local terms energy: -86.127820
where:
bonds (distance) C4'-P energy: -19.952
bonds (distance) P-C4' energy: -20.256
flat angles C4'-P-C4' energy: -18.370
flat angles P-C4'-P energy: -11.980
tors. eta vs tors. theta energy: -15.570
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 165
Temperature: 1.150000
Total energy: -235.799245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.799245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.799245 (E_RNA)
where:
Base-Base interactions energy: -153.063
where: short stacking energy: -67.551
Base-Backbone interact. energy: -0.322
local terms energy: -82.414001
where:
bonds (distance) C4'-P energy: -20.741
bonds (distance) P-C4' energy: -17.022
flat angles C4'-P-C4' energy: -16.287
flat angles P-C4'-P energy: -15.103
tors. eta vs tors. theta energy: -13.261
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 165
Temperature: 1.200000
Total energy: -239.110545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.110545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.110545 (E_RNA)
where:
Base-Base interactions energy: -151.483
where: short stacking energy: -59.906
Base-Backbone interact. energy: 0.093
local terms energy: -87.721208
where:
bonds (distance) C4'-P energy: -15.812
bonds (distance) P-C4' energy: -20.831
flat angles C4'-P-C4' energy: -20.306
flat angles P-C4'-P energy: -14.628
tors. eta vs tors. theta energy: -16.143
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 165
Temperature: 1.250000
Total energy: -168.924145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.924145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.924145 (E_RNA)
where:
Base-Base interactions energy: -99.505
where: short stacking energy: -51.173
Base-Backbone interact. energy: -0.213
local terms energy: -69.205214
where:
bonds (distance) C4'-P energy: -15.087
bonds (distance) P-C4' energy: -17.999
flat angles C4'-P-C4' energy: -16.745
flat angles P-C4'-P energy: -11.107
tors. eta vs tors. theta energy: -8.267
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 165
Temperature: 1.300000
Total energy: -105.753452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.753452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.753452 (E_RNA)
where:
Base-Base interactions energy: -37.244
where: short stacking energy: -37.244
Base-Backbone interact. energy: -0.083
local terms energy: -68.426751
where:
bonds (distance) C4'-P energy: -17.030
bonds (distance) P-C4' energy: -22.406
flat angles C4'-P-C4' energy: -8.932
flat angles P-C4'-P energy: -17.727
tors. eta vs tors. theta energy: -2.333
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 165
Temperature: 1.350000
Total energy: -109.703628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.703628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.703628 (E_RNA)
where:
Base-Base interactions energy: -47.393
where: short stacking energy: -34.816
Base-Backbone interact. energy: -0.351
local terms energy: -61.959384
where:
bonds (distance) C4'-P energy: -18.717
bonds (distance) P-C4' energy: -18.063
flat angles C4'-P-C4' energy: -15.394
flat angles P-C4'-P energy: -9.167
tors. eta vs tors. theta energy: -0.618
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 166
Temperature: 0.900000
Total energy: -344.233789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.233789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.233789 (E_RNA)
where:
Base-Base interactions energy: -251.134
where: short stacking energy: -102.773
Base-Backbone interact. energy: -0.287
local terms energy: -92.812787
where:
bonds (distance) C4'-P energy: -14.310
bonds (distance) P-C4' energy: -19.871
flat angles C4'-P-C4' energy: -18.914
flat angles P-C4'-P energy: -14.481
tors. eta vs tors. theta energy: -25.237
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 166
Temperature: 0.950000
Total energy: -302.366392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.366392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.366392 (E_RNA)
where:
Base-Base interactions energy: -211.508
where: short stacking energy: -87.501
Base-Backbone interact. energy: -0.228
local terms energy: -90.630541
where:
bonds (distance) C4'-P energy: -17.973
bonds (distance) P-C4' energy: -18.379
flat angles C4'-P-C4' energy: -17.360
flat angles P-C4'-P energy: -14.587
tors. eta vs tors. theta energy: -22.331
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 166
Temperature: 1.000000
Total energy: -287.297633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.297633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.297633 (E_RNA)
where:
Base-Base interactions energy: -193.919
where: short stacking energy: -83.050
Base-Backbone interact. energy: -0.688
local terms energy: -92.690510
where:
bonds (distance) C4'-P energy: -20.858
bonds (distance) P-C4' energy: -19.264
flat angles C4'-P-C4' energy: -19.856
flat angles P-C4'-P energy: -11.941
tors. eta vs tors. theta energy: -20.772
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 166
Temperature: 1.050000
Total energy: -257.461964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.461964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.461964 (E_RNA)
where:
Base-Base interactions energy: -173.280
where: short stacking energy: -83.440
Base-Backbone interact. energy: -0.053
local terms energy: -84.128966
where:
bonds (distance) C4'-P energy: -18.887
bonds (distance) P-C4' energy: -19.166
flat angles C4'-P-C4' energy: -11.393
flat angles P-C4'-P energy: -15.848
tors. eta vs tors. theta energy: -18.835
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 166
Temperature: 1.100000
Total energy: -232.755745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.755745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.755745 (E_RNA)
where:
Base-Base interactions energy: -154.574
where: short stacking energy: -69.871
Base-Backbone interact. energy: -1.090
local terms energy: -77.092512
where:
bonds (distance) C4'-P energy: -16.192
bonds (distance) P-C4' energy: -18.924
flat angles C4'-P-C4' energy: -17.456
flat angles P-C4'-P energy: -9.370
tors. eta vs tors. theta energy: -15.151
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 166
Temperature: 1.150000
Total energy: -249.768866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.768866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.768866 (E_RNA)
where:
Base-Base interactions energy: -161.641
where: short stacking energy: -73.880
Base-Backbone interact. energy: -0.389
local terms energy: -87.738551
where:
bonds (distance) C4'-P energy: -17.471
bonds (distance) P-C4' energy: -20.458
flat angles C4'-P-C4' energy: -18.335
flat angles P-C4'-P energy: -11.481
tors. eta vs tors. theta energy: -19.993
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 166
Temperature: 1.200000
Total energy: -238.525645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.525645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.525645 (E_RNA)
where:
Base-Base interactions energy: -158.789
where: short stacking energy: -68.774
Base-Backbone interact. energy: -0.409
local terms energy: -79.327737
where:
bonds (distance) C4'-P energy: -15.534
bonds (distance) P-C4' energy: -16.136
flat angles C4'-P-C4' energy: -14.801
flat angles P-C4'-P energy: -14.181
tors. eta vs tors. theta energy: -18.676
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 166
Temperature: 1.250000
Total energy: -174.013915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.013915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.013915 (E_RNA)
where:
Base-Base interactions energy: -108.171
where: short stacking energy: -46.019
Base-Backbone interact. energy: 0.334
local terms energy: -66.176286
where:
bonds (distance) C4'-P energy: -14.648
bonds (distance) P-C4' energy: -15.338
flat angles C4'-P-C4' energy: -18.808
flat angles P-C4'-P energy: -14.538
tors. eta vs tors. theta energy: -2.843
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 166
Temperature: 1.300000
Total energy: -112.442342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.442342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.442342 (E_RNA)
where:
Base-Base interactions energy: -52.131
where: short stacking energy: -44.494
Base-Backbone interact. energy: 1.001
local terms energy: -61.312199
where:
bonds (distance) C4'-P energy: -15.108
bonds (distance) P-C4' energy: -13.356
flat angles C4'-P-C4' energy: -12.301
flat angles P-C4'-P energy: -13.653
tors. eta vs tors. theta energy: -6.895
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 166
Temperature: 1.350000
Total energy: -179.283582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.283582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.283582 (E_RNA)
where:
Base-Base interactions energy: -114.722
where: short stacking energy: -43.775
Base-Backbone interact. energy: -0.153
local terms energy: -64.409270
where:
bonds (distance) C4'-P energy: -16.413
bonds (distance) P-C4' energy: -17.828
flat angles C4'-P-C4' energy: -13.016
flat angles P-C4'-P energy: -10.857
tors. eta vs tors. theta energy: -6.295
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 167
Temperature: 0.900000
Total energy: -338.669882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.669882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.669882 (E_RNA)
where:
Base-Base interactions energy: -242.776
where: short stacking energy: -91.230
Base-Backbone interact. energy: -0.605
local terms energy: -95.288308
where:
bonds (distance) C4'-P energy: -19.354
bonds (distance) P-C4' energy: -22.909
flat angles C4'-P-C4' energy: -18.395
flat angles P-C4'-P energy: -14.771
tors. eta vs tors. theta energy: -19.859
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 167
Temperature: 0.950000
Total energy: -308.690878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.690878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.690878 (E_RNA)
where:
Base-Base interactions energy: -206.138
where: short stacking energy: -103.417
Base-Backbone interact. energy: -0.795
local terms energy: -101.758362
where:
bonds (distance) C4'-P energy: -19.934
bonds (distance) P-C4' energy: -16.192
flat angles C4'-P-C4' energy: -23.290
flat angles P-C4'-P energy: -15.705
tors. eta vs tors. theta energy: -26.638
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 167
Temperature: 1.000000
Total energy: -306.129150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.129150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.129150 (E_RNA)
where:
Base-Base interactions energy: -203.303
where: short stacking energy: -95.912
Base-Backbone interact. energy: -1.764
local terms energy: -101.062383
where:
bonds (distance) C4'-P energy: -20.916
bonds (distance) P-C4' energy: -19.431
flat angles C4'-P-C4' energy: -19.207
flat angles P-C4'-P energy: -15.772
tors. eta vs tors. theta energy: -25.736
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 167
Temperature: 1.050000
Total energy: -258.724476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.724476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.724476 (E_RNA)
where:
Base-Base interactions energy: -173.012
where: short stacking energy: -73.969
Base-Backbone interact. energy: -0.023
local terms energy: -85.689025
where:
bonds (distance) C4'-P energy: -17.802
bonds (distance) P-C4' energy: -21.148
flat angles C4'-P-C4' energy: -21.040
flat angles P-C4'-P energy: -9.308
tors. eta vs tors. theta energy: -16.391
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 167
Temperature: 1.100000
Total energy: -262.540888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.540888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.540888 (E_RNA)
where:
Base-Base interactions energy: -176.841
where: short stacking energy: -85.423
Base-Backbone interact. energy: -0.121
local terms energy: -85.578597
where:
bonds (distance) C4'-P energy: -13.153
bonds (distance) P-C4' energy: -21.411
flat angles C4'-P-C4' energy: -19.820
flat angles P-C4'-P energy: -11.898
tors. eta vs tors. theta energy: -19.296
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 167
Temperature: 1.150000
Total energy: -234.821887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.821887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.821887 (E_RNA)
where:
Base-Base interactions energy: -152.064
where: short stacking energy: -58.175
Base-Backbone interact. energy: -0.382
local terms energy: -82.375727
where:
bonds (distance) C4'-P energy: -18.047
bonds (distance) P-C4' energy: -19.434
flat angles C4'-P-C4' energy: -20.833
flat angles P-C4'-P energy: -14.607
tors. eta vs tors. theta energy: -9.456
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 167
Temperature: 1.200000
Total energy: -228.349878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.349878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.349878 (E_RNA)
where:
Base-Base interactions energy: -151.198
where: short stacking energy: -55.663
Base-Backbone interact. energy: -1.423
local terms energy: -75.729248
where:
bonds (distance) C4'-P energy: -18.789
bonds (distance) P-C4' energy: -21.507
flat angles C4'-P-C4' energy: -15.036
flat angles P-C4'-P energy: -9.914
tors. eta vs tors. theta energy: -10.483
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 167
Temperature: 1.250000
Total energy: -179.922967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.922967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.922967 (E_RNA)
where:
Base-Base interactions energy: -112.593
where: short stacking energy: -48.669
Base-Backbone interact. energy: 1.619
local terms energy: -68.948276
where:
bonds (distance) C4'-P energy: -19.674
bonds (distance) P-C4' energy: -10.086
flat angles C4'-P-C4' energy: -20.222
flat angles P-C4'-P energy: -13.154
tors. eta vs tors. theta energy: -5.813
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 167
Temperature: 1.300000
Total energy: -124.216311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.216311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.216311 (E_RNA)
where:
Base-Base interactions energy: -68.379
where: short stacking energy: -49.409
Base-Backbone interact. energy: -0.346
local terms energy: -55.491473
where:
bonds (distance) C4'-P energy: -8.514
bonds (distance) P-C4' energy: -9.606
flat angles C4'-P-C4' energy: -20.426
flat angles P-C4'-P energy: -8.330
tors. eta vs tors. theta energy: -8.615
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 167
Temperature: 1.350000
Total energy: -194.152578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.152578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.152578 (E_RNA)
where:
Base-Base interactions energy: -121.451
where: short stacking energy: -55.940
Base-Backbone interact. energy: -0.686
local terms energy: -72.015631
where:
bonds (distance) C4'-P energy: -16.344
bonds (distance) P-C4' energy: -11.881
flat angles C4'-P-C4' energy: -17.031
flat angles P-C4'-P energy: -9.498
tors. eta vs tors. theta energy: -17.261
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 168
Temperature: 0.900000
Total energy: -342.419430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.419430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.419430 (E_RNA)
where:
Base-Base interactions energy: -246.434
where: short stacking energy: -96.302
Base-Backbone interact. energy: -0.684
local terms energy: -95.300996
where:
bonds (distance) C4'-P energy: -15.325
bonds (distance) P-C4' energy: -21.226
flat angles C4'-P-C4' energy: -22.786
flat angles P-C4'-P energy: -13.617
tors. eta vs tors. theta energy: -22.347
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 168
Temperature: 0.950000
Total energy: -306.553741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.553741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.553741 (E_RNA)
where:
Base-Base interactions energy: -201.035
where: short stacking energy: -102.652
Base-Backbone interact. energy: -0.927
local terms energy: -104.592089
where:
bonds (distance) C4'-P energy: -20.867
bonds (distance) P-C4' energy: -19.248
flat angles C4'-P-C4' energy: -21.331
flat angles P-C4'-P energy: -11.133
tors. eta vs tors. theta energy: -32.012
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 168
Temperature: 1.000000
Total energy: -291.586888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.586888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.586888 (E_RNA)
where:
Base-Base interactions energy: -191.473
where: short stacking energy: -83.559
Base-Backbone interact. energy: -0.142
local terms energy: -99.972295
where:
bonds (distance) C4'-P energy: -19.932
bonds (distance) P-C4' energy: -18.689
flat angles C4'-P-C4' energy: -21.465
flat angles P-C4'-P energy: -14.195
tors. eta vs tors. theta energy: -25.692
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 168
Temperature: 1.050000
Total energy: -251.012390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.012390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.012390 (E_RNA)
where:
Base-Base interactions energy: -170.175
where: short stacking energy: -79.361
Base-Backbone interact. energy: -0.104
local terms energy: -80.733222
where:
bonds (distance) C4'-P energy: -21.584
bonds (distance) P-C4' energy: -19.871
flat angles C4'-P-C4' energy: -17.645
flat angles P-C4'-P energy: -7.126
tors. eta vs tors. theta energy: -14.508
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 168
Temperature: 1.100000
Total energy: -250.341597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.341597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.341597 (E_RNA)
where:
Base-Base interactions energy: -166.060
where: short stacking energy: -69.509
Base-Backbone interact. energy: -1.209
local terms energy: -83.072211
where:
bonds (distance) C4'-P energy: -16.889
bonds (distance) P-C4' energy: -20.636
flat angles C4'-P-C4' energy: -16.673
flat angles P-C4'-P energy: -15.272
tors. eta vs tors. theta energy: -13.602
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 168
Temperature: 1.150000
Total energy: -245.796063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.796063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.796063 (E_RNA)
where:
Base-Base interactions energy: -164.883
where: short stacking energy: -71.494
Base-Backbone interact. energy: -0.135
local terms energy: -80.778857
where:
bonds (distance) C4'-P energy: -16.599
bonds (distance) P-C4' energy: -18.087
flat angles C4'-P-C4' energy: -18.282
flat angles P-C4'-P energy: -11.284
tors. eta vs tors. theta energy: -16.527
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 168
Temperature: 1.200000
Total energy: -227.490277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.490277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.490277 (E_RNA)
where:
Base-Base interactions energy: -145.744
where: short stacking energy: -69.484
Base-Backbone interact. energy: 0.758
local terms energy: -82.504390
where:
bonds (distance) C4'-P energy: -17.393
bonds (distance) P-C4' energy: -15.056
flat angles C4'-P-C4' energy: -21.324
flat angles P-C4'-P energy: -15.414
tors. eta vs tors. theta energy: -13.318
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 168
Temperature: 1.250000
Total energy: -170.678294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.678294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.678294 (E_RNA)
where:
Base-Base interactions energy: -94.797
where: short stacking energy: -51.511
Base-Backbone interact. energy: -0.218
local terms energy: -75.663357
where:
bonds (distance) C4'-P energy: -20.147
bonds (distance) P-C4' energy: -15.679
flat angles C4'-P-C4' energy: -13.979
flat angles P-C4'-P energy: -13.184
tors. eta vs tors. theta energy: -12.674
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 168
Temperature: 1.300000
Total energy: -161.571238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.571238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.571238 (E_RNA)
where:
Base-Base interactions energy: -102.030
where: short stacking energy: -43.717
Base-Backbone interact. energy: -0.467
local terms energy: -59.073481
where:
bonds (distance) C4'-P energy: -17.426
bonds (distance) P-C4' energy: -17.335
flat angles C4'-P-C4' energy: -11.899
flat angles P-C4'-P energy: -7.631
tors. eta vs tors. theta energy: -4.781
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 168
Temperature: 1.350000
Total energy: -98.327672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.327672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.327672 (E_RNA)
where:
Base-Base interactions energy: -39.617
where: short stacking energy: -30.782
Base-Backbone interact. energy: -0.240
local terms energy: -58.470777
where:
bonds (distance) C4'-P energy: -14.968
bonds (distance) P-C4' energy: -13.554
flat angles C4'-P-C4' energy: -19.920
flat angles P-C4'-P energy: -6.552
tors. eta vs tors. theta energy: -3.478
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 169
Temperature: 0.900000
Total energy: -344.909998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.909998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.909998 (E_RNA)
where:
Base-Base interactions energy: -246.079
where: short stacking energy: -100.842
Base-Backbone interact. energy: -0.636
local terms energy: -98.195250
where:
bonds (distance) C4'-P energy: -19.433
bonds (distance) P-C4' energy: -21.116
flat angles C4'-P-C4' energy: -16.150
flat angles P-C4'-P energy: -17.569
tors. eta vs tors. theta energy: -23.928
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 169
Temperature: 0.950000
Total energy: -307.882414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.882414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.882414 (E_RNA)
where:
Base-Base interactions energy: -208.829
where: short stacking energy: -96.924
Base-Backbone interact. energy: -0.745
local terms energy: -98.308055
where:
bonds (distance) C4'-P energy: -20.928
bonds (distance) P-C4' energy: -21.708
flat angles C4'-P-C4' energy: -22.704
flat angles P-C4'-P energy: -9.466
tors. eta vs tors. theta energy: -23.502
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 169
Temperature: 1.000000
Total energy: -293.039849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.039849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.039849 (E_RNA)
where:
Base-Base interactions energy: -195.339
where: short stacking energy: -82.863
Base-Backbone interact. energy: -0.135
local terms energy: -97.566101
where:
bonds (distance) C4'-P energy: -19.139
bonds (distance) P-C4' energy: -21.352
flat angles C4'-P-C4' energy: -21.056
flat angles P-C4'-P energy: -14.320
tors. eta vs tors. theta energy: -21.699
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 169
Temperature: 1.050000
Total energy: -262.395049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.395049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.395049 (E_RNA)
where:
Base-Base interactions energy: -174.681
where: short stacking energy: -81.564
Base-Backbone interact. energy: 2.183
local terms energy: -89.897411
where:
bonds (distance) C4'-P energy: -18.727
bonds (distance) P-C4' energy: -20.930
flat angles C4'-P-C4' energy: -17.972
flat angles P-C4'-P energy: -13.776
tors. eta vs tors. theta energy: -18.493
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 169
Temperature: 1.100000
Total energy: -256.301104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.301104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.301104 (E_RNA)
where:
Base-Base interactions energy: -169.847
where: short stacking energy: -71.860
Base-Backbone interact. energy: -1.770
local terms energy: -84.684339
where:
bonds (distance) C4'-P energy: -22.320
bonds (distance) P-C4' energy: -17.914
flat angles C4'-P-C4' energy: -20.815
flat angles P-C4'-P energy: -7.297
tors. eta vs tors. theta energy: -16.338
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 169
Temperature: 1.150000
Total energy: -245.018068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.018068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.018068 (E_RNA)
where:
Base-Base interactions energy: -165.221
where: short stacking energy: -80.777
Base-Backbone interact. energy: -0.631
local terms energy: -79.166659
where:
bonds (distance) C4'-P energy: -12.567
bonds (distance) P-C4' energy: -12.534
flat angles C4'-P-C4' energy: -20.928
flat angles P-C4'-P energy: -14.114
tors. eta vs tors. theta energy: -19.023
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 169
Temperature: 1.200000
Total energy: -238.281811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.281811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.281811 (E_RNA)
where:
Base-Base interactions energy: -158.433
where: short stacking energy: -74.655
Base-Backbone interact. energy: -0.361
local terms energy: -79.487416
where:
bonds (distance) C4'-P energy: -19.455
bonds (distance) P-C4' energy: -15.282
flat angles C4'-P-C4' energy: -20.665
flat angles P-C4'-P energy: -8.244
tors. eta vs tors. theta energy: -15.841
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 169
Temperature: 1.250000
Total energy: -156.922358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.922358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.922358 (E_RNA)
where:
Base-Base interactions energy: -88.651
where: short stacking energy: -54.271
Base-Backbone interact. energy: 0.143
local terms energy: -68.413729
where:
bonds (distance) C4'-P energy: -20.874
bonds (distance) P-C4' energy: -17.950
flat angles C4'-P-C4' energy: -14.185
flat angles P-C4'-P energy: -5.636
tors. eta vs tors. theta energy: -9.768
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 169
Temperature: 1.300000
Total energy: -167.929214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.929214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.929214 (E_RNA)
where:
Base-Base interactions energy: -100.711
where: short stacking energy: -61.568
Base-Backbone interact. energy: -0.183
local terms energy: -67.035487
where:
bonds (distance) C4'-P energy: -14.424
bonds (distance) P-C4' energy: -16.148
flat angles C4'-P-C4' energy: -16.773
flat angles P-C4'-P energy: -9.589
tors. eta vs tors. theta energy: -10.101
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 169
Temperature: 1.350000
Total energy: -99.238999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.238999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.238999 (E_RNA)
where:
Base-Base interactions energy: -43.964
where: short stacking energy: -30.323
Base-Backbone interact. energy: -0.359
local terms energy: -54.915857
where:
bonds (distance) C4'-P energy: -14.817
bonds (distance) P-C4' energy: -20.042
flat angles C4'-P-C4' energy: -13.075
flat angles P-C4'-P energy: -8.777
tors. eta vs tors. theta energy: 1.796
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 170
Temperature: 0.900000
Total energy: -340.457541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.457541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.457541 (E_RNA)
where:
Base-Base interactions energy: -235.116
where: short stacking energy: -96.944
Base-Backbone interact. energy: -0.574
local terms energy: -104.767186
where:
bonds (distance) C4'-P energy: -21.090
bonds (distance) P-C4' energy: -18.061
flat angles C4'-P-C4' energy: -21.784
flat angles P-C4'-P energy: -17.395
tors. eta vs tors. theta energy: -26.437
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 170
Temperature: 0.950000
Total energy: -295.149096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.149096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.149096 (E_RNA)
where:
Base-Base interactions energy: -204.401
where: short stacking energy: -103.652
Base-Backbone interact. energy: -0.690
local terms energy: -90.058112
where:
bonds (distance) C4'-P energy: -16.487
bonds (distance) P-C4' energy: -16.925
flat angles C4'-P-C4' energy: -17.794
flat angles P-C4'-P energy: -12.979
tors. eta vs tors. theta energy: -25.873
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 170
Temperature: 1.000000
Total energy: -295.801545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.801545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.801545 (E_RNA)
where:
Base-Base interactions energy: -202.536
where: short stacking energy: -87.868
Base-Backbone interact. energy: 1.270
local terms energy: -94.535498
where:
bonds (distance) C4'-P energy: -18.271
bonds (distance) P-C4' energy: -16.551
flat angles C4'-P-C4' energy: -21.181
flat angles P-C4'-P energy: -15.819
tors. eta vs tors. theta energy: -22.714
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 170
Temperature: 1.050000
Total energy: -255.620051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.620051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.620051 (E_RNA)
where:
Base-Base interactions energy: -159.993
where: short stacking energy: -83.587
Base-Backbone interact. energy: -0.479
local terms energy: -95.147134
where:
bonds (distance) C4'-P energy: -21.512
bonds (distance) P-C4' energy: -20.651
flat angles C4'-P-C4' energy: -19.117
flat angles P-C4'-P energy: -11.516
tors. eta vs tors. theta energy: -22.351
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 170
Temperature: 1.100000
Total energy: -264.747968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.747968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.747968 (E_RNA)
where:
Base-Base interactions energy: -181.725
where: short stacking energy: -77.568
Base-Backbone interact. energy: -0.580
local terms energy: -82.442782
where:
bonds (distance) C4'-P energy: -12.645
bonds (distance) P-C4' energy: -19.237
flat angles C4'-P-C4' energy: -22.077
flat angles P-C4'-P energy: -10.532
tors. eta vs tors. theta energy: -17.952
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 170
Temperature: 1.150000
Total energy: -249.637863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.637863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.637863 (E_RNA)
where:
Base-Base interactions energy: -157.287
where: short stacking energy: -77.318
Base-Backbone interact. energy: -0.912
local terms energy: -91.439334
where:
bonds (distance) C4'-P energy: -18.892
bonds (distance) P-C4' energy: -21.768
flat angles C4'-P-C4' energy: -21.763
flat angles P-C4'-P energy: -10.729
tors. eta vs tors. theta energy: -18.288
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 170
Temperature: 1.200000
Total energy: -242.673877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.673877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.673877 (E_RNA)
where:
Base-Base interactions energy: -163.395
where: short stacking energy: -67.586
Base-Backbone interact. energy: -0.316
local terms energy: -78.962376
where:
bonds (distance) C4'-P energy: -16.069
bonds (distance) P-C4' energy: -22.144
flat angles C4'-P-C4' energy: -14.981
flat angles P-C4'-P energy: -14.166
tors. eta vs tors. theta energy: -11.603
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 170
Temperature: 1.250000
Total energy: -171.542310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.542310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.542310 (E_RNA)
where:
Base-Base interactions energy: -108.183
where: short stacking energy: -45.991
Base-Backbone interact. energy: -0.436
local terms energy: -62.923935
where:
bonds (distance) C4'-P energy: -13.537
bonds (distance) P-C4' energy: -23.318
flat angles C4'-P-C4' energy: -12.508
flat angles P-C4'-P energy: -10.741
tors. eta vs tors. theta energy: -2.820
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 170
Temperature: 1.300000
Total energy: -104.953079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.953079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.953079 (E_RNA)
where:
Base-Base interactions energy: -48.737
where: short stacking energy: -45.156
Base-Backbone interact. energy: -0.020
local terms energy: -56.195641
where:
bonds (distance) C4'-P energy: -18.291
bonds (distance) P-C4' energy: -16.008
flat angles C4'-P-C4' energy: -11.155
flat angles P-C4'-P energy: -5.021
tors. eta vs tors. theta energy: -5.721
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 170
Temperature: 1.350000
Total energy: -159.961709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.961709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.961709 (E_RNA)
where:
Base-Base interactions energy: -97.120
where: short stacking energy: -45.126
Base-Backbone interact. energy: -0.470
local terms energy: -62.371177
where:
bonds (distance) C4'-P energy: -18.009
bonds (distance) P-C4' energy: -17.915
flat angles C4'-P-C4' energy: -15.186
flat angles P-C4'-P energy: -7.013
tors. eta vs tors. theta energy: -4.248
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 171
Temperature: 0.900000
Total energy: -345.366406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.366406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.366406 (E_RNA)
where:
Base-Base interactions energy: -244.985
where: short stacking energy: -103.128
Base-Backbone interact. energy: -1.381
local terms energy: -99.000944
where:
bonds (distance) C4'-P energy: -20.230
bonds (distance) P-C4' energy: -16.985
flat angles C4'-P-C4' energy: -21.298
flat angles P-C4'-P energy: -16.152
tors. eta vs tors. theta energy: -24.336
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 171
Temperature: 0.950000
Total energy: -291.381028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.381028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.381028 (E_RNA)
where:
Base-Base interactions energy: -198.529
where: short stacking energy: -77.852
Base-Backbone interact. energy: -1.599
local terms energy: -91.253084
where:
bonds (distance) C4'-P energy: -20.054
bonds (distance) P-C4' energy: -16.858
flat angles C4'-P-C4' energy: -15.773
flat angles P-C4'-P energy: -15.083
tors. eta vs tors. theta energy: -23.484
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 171
Temperature: 1.000000
Total energy: -300.236151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.236151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.236151 (E_RNA)
where:
Base-Base interactions energy: -194.548
where: short stacking energy: -88.763
Base-Backbone interact. energy: -1.191
local terms energy: -104.497538
where:
bonds (distance) C4'-P energy: -18.528
bonds (distance) P-C4' energy: -19.483
flat angles C4'-P-C4' energy: -22.526
flat angles P-C4'-P energy: -17.415
tors. eta vs tors. theta energy: -26.545
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 171
Temperature: 1.050000
Total energy: -256.156388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.156388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.156388 (E_RNA)
where:
Base-Base interactions energy: -169.150
where: short stacking energy: -67.831
Base-Backbone interact. energy: -0.558
local terms energy: -86.447808
where:
bonds (distance) C4'-P energy: -17.099
bonds (distance) P-C4' energy: -18.043
flat angles C4'-P-C4' energy: -20.825
flat angles P-C4'-P energy: -14.515
tors. eta vs tors. theta energy: -15.966
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 171
Temperature: 1.100000
Total energy: -257.512586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.512586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.512586 (E_RNA)
where:
Base-Base interactions energy: -160.181
where: short stacking energy: -76.837
Base-Backbone interact. energy: -0.089
local terms energy: -97.242229
where:
bonds (distance) C4'-P energy: -17.899
bonds (distance) P-C4' energy: -20.982
flat angles C4'-P-C4' energy: -21.342
flat angles P-C4'-P energy: -16.687
tors. eta vs tors. theta energy: -20.331
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 171
Temperature: 1.150000
Total energy: -239.664029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.664029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.664029 (E_RNA)
where:
Base-Base interactions energy: -165.772
where: short stacking energy: -74.872
Base-Backbone interact. energy: -0.249
local terms energy: -73.643816
where:
bonds (distance) C4'-P energy: -10.298
bonds (distance) P-C4' energy: -19.036
flat angles C4'-P-C4' energy: -18.960
flat angles P-C4'-P energy: -7.051
tors. eta vs tors. theta energy: -18.299
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 171
Temperature: 1.200000
Total energy: -235.906671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.906671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.906671 (E_RNA)
where:
Base-Base interactions energy: -149.475
where: short stacking energy: -71.732
Base-Backbone interact. energy: -0.340
local terms energy: -86.092125
where:
bonds (distance) C4'-P energy: -19.649
bonds (distance) P-C4' energy: -17.492
flat angles C4'-P-C4' energy: -19.868
flat angles P-C4'-P energy: -12.503
tors. eta vs tors. theta energy: -16.580
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 171
Temperature: 1.250000
Total energy: -204.982704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.982704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.982704 (E_RNA)
where:
Base-Base interactions energy: -129.975
where: short stacking energy: -58.903
Base-Backbone interact. energy: -0.194
local terms energy: -74.814088
where:
bonds (distance) C4'-P energy: -16.768
bonds (distance) P-C4' energy: -17.869
flat angles C4'-P-C4' energy: -18.064
flat angles P-C4'-P energy: -8.500
tors. eta vs tors. theta energy: -13.613
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 171
Temperature: 1.300000
Total energy: -125.665085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.665085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.665085 (E_RNA)
where:
Base-Base interactions energy: -50.078
where: short stacking energy: -39.848
Base-Backbone interact. energy: -0.007
local terms energy: -75.580713
where:
bonds (distance) C4'-P energy: -18.781
bonds (distance) P-C4' energy: -19.808
flat angles C4'-P-C4' energy: -20.908
flat angles P-C4'-P energy: -8.658
tors. eta vs tors. theta energy: -7.426
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 171
Temperature: 1.350000
Total energy: -170.345778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.345778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.345778 (E_RNA)
where:
Base-Base interactions energy: -88.289
where: short stacking energy: -48.971
Base-Backbone interact. energy: -0.642
local terms energy: -81.415213
where:
bonds (distance) C4'-P energy: -19.405
bonds (distance) P-C4' energy: -19.882
flat angles C4'-P-C4' energy: -18.106
flat angles P-C4'-P energy: -9.794
tors. eta vs tors. theta energy: -14.228
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 172
Temperature: 0.900000
Total energy: -348.639676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.639676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.639676 (E_RNA)
where:
Base-Base interactions energy: -246.408
where: short stacking energy: -103.526
Base-Backbone interact. energy: -0.573
local terms energy: -101.658609
where:
bonds (distance) C4'-P energy: -18.566
bonds (distance) P-C4' energy: -18.798
flat angles C4'-P-C4' energy: -20.281
flat angles P-C4'-P energy: -15.821
tors. eta vs tors. theta energy: -28.193
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 172
Temperature: 0.950000
Total energy: -296.602740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.602740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.602740 (E_RNA)
where:
Base-Base interactions energy: -204.678
where: short stacking energy: -92.081
Base-Backbone interact. energy: -1.896
local terms energy: -90.028814
where:
bonds (distance) C4'-P energy: -18.458
bonds (distance) P-C4' energy: -16.172
flat angles C4'-P-C4' energy: -18.876
flat angles P-C4'-P energy: -11.650
tors. eta vs tors. theta energy: -24.873
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 172
Temperature: 1.000000
Total energy: -300.041207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.041207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.041207 (E_RNA)
where:
Base-Base interactions energy: -202.527
where: short stacking energy: -86.575
Base-Backbone interact. energy: -0.962
local terms energy: -96.551925
where:
bonds (distance) C4'-P energy: -14.420
bonds (distance) P-C4' energy: -20.749
flat angles C4'-P-C4' energy: -20.706
flat angles P-C4'-P energy: -12.388
tors. eta vs tors. theta energy: -28.288
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 172
Temperature: 1.050000
Total energy: -265.606543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.606543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.606543 (E_RNA)
where:
Base-Base interactions energy: -189.989
where: short stacking energy: -67.232
Base-Backbone interact. energy: -1.164
local terms energy: -74.453980
where:
bonds (distance) C4'-P energy: -16.246
bonds (distance) P-C4' energy: -16.593
flat angles C4'-P-C4' energy: -14.348
flat angles P-C4'-P energy: -13.068
tors. eta vs tors. theta energy: -14.199
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 172
Temperature: 1.100000
Total energy: -260.231379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.231379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.231379 (E_RNA)
where:
Base-Base interactions energy: -165.512
where: short stacking energy: -85.660
Base-Backbone interact. energy: -0.116
local terms energy: -94.603549
where:
bonds (distance) C4'-P energy: -20.298
bonds (distance) P-C4' energy: -20.333
flat angles C4'-P-C4' energy: -15.131
flat angles P-C4'-P energy: -15.667
tors. eta vs tors. theta energy: -23.174
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 172
Temperature: 1.150000
Total energy: -230.967254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.967254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.967254 (E_RNA)
where:
Base-Base interactions energy: -152.744
where: short stacking energy: -70.488
Base-Backbone interact. energy: 0.248
local terms energy: -78.471345
where:
bonds (distance) C4'-P energy: -17.236
bonds (distance) P-C4' energy: -15.850
flat angles C4'-P-C4' energy: -18.106
flat angles P-C4'-P energy: -13.436
tors. eta vs tors. theta energy: -13.843
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 172
Temperature: 1.200000
Total energy: -215.700399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.700399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.700399 (E_RNA)
where:
Base-Base interactions energy: -141.890
where: short stacking energy: -67.441
Base-Backbone interact. energy: -0.644
local terms energy: -73.166295
where:
bonds (distance) C4'-P energy: -13.043
bonds (distance) P-C4' energy: -20.282
flat angles C4'-P-C4' energy: -14.697
flat angles P-C4'-P energy: -12.483
tors. eta vs tors. theta energy: -12.661
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 172
Temperature: 1.250000
Total energy: -224.828447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.828447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.828447 (E_RNA)
where:
Base-Base interactions energy: -137.066
where: short stacking energy: -61.979
Base-Backbone interact. energy: -0.343
local terms energy: -87.419454
where:
bonds (distance) C4'-P energy: -19.777
bonds (distance) P-C4' energy: -16.343
flat angles C4'-P-C4' energy: -20.648
flat angles P-C4'-P energy: -17.561
tors. eta vs tors. theta energy: -13.090
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 172
Temperature: 1.300000
Total energy: -113.663017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.663017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.663017 (E_RNA)
where:
Base-Base interactions energy: -69.208
where: short stacking energy: -40.984
Base-Backbone interact. energy: 0.008
local terms energy: -44.463523
where:
bonds (distance) C4'-P energy: -8.793
bonds (distance) P-C4' energy: -18.534
flat angles C4'-P-C4' energy: -12.304
flat angles P-C4'-P energy: -4.441
tors. eta vs tors. theta energy: -0.391
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 172
Temperature: 1.350000
Total energy: -98.879242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.879242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.879242 (E_RNA)
where:
Base-Base interactions energy: -38.655
where: short stacking energy: -37.354
Base-Backbone interact. energy: -0.250
local terms energy: -59.973945
where:
bonds (distance) C4'-P energy: -16.781
bonds (distance) P-C4' energy: -16.467
flat angles C4'-P-C4' energy: -16.585
flat angles P-C4'-P energy: -8.694
tors. eta vs tors. theta energy: -1.448
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 173
Temperature: 0.900000
Total energy: -344.894289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.894289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.894289 (E_RNA)
where:
Base-Base interactions energy: -248.031
where: short stacking energy: -104.010
Base-Backbone interact. energy: -0.622
local terms energy: -96.241461
where:
bonds (distance) C4'-P energy: -14.703
bonds (distance) P-C4' energy: -20.679
flat angles C4'-P-C4' energy: -18.918
flat angles P-C4'-P energy: -15.201
tors. eta vs tors. theta energy: -26.740
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 173
Temperature: 0.950000
Total energy: -306.037605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.037605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.037605 (E_RNA)
where:
Base-Base interactions energy: -214.544
where: short stacking energy: -97.213
Base-Backbone interact. energy: -0.638
local terms energy: -90.855099
where:
bonds (distance) C4'-P energy: -19.220
bonds (distance) P-C4' energy: -17.616
flat angles C4'-P-C4' energy: -19.307
flat angles P-C4'-P energy: -10.174
tors. eta vs tors. theta energy: -24.537
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 173
Temperature: 1.000000
Total energy: -281.730255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.730255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.730255 (E_RNA)
where:
Base-Base interactions energy: -195.346
where: short stacking energy: -89.787
Base-Backbone interact. energy: -2.189
local terms energy: -84.194946
where:
bonds (distance) C4'-P energy: -14.910
bonds (distance) P-C4' energy: -18.906
flat angles C4'-P-C4' energy: -21.682
flat angles P-C4'-P energy: -9.733
tors. eta vs tors. theta energy: -18.964
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 173
Temperature: 1.050000
Total energy: -267.448913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.448913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.448913 (E_RNA)
where:
Base-Base interactions energy: -172.393
where: short stacking energy: -82.312
Base-Backbone interact. energy: -0.338
local terms energy: -94.717414
where:
bonds (distance) C4'-P energy: -16.996
bonds (distance) P-C4' energy: -20.583
flat angles C4'-P-C4' energy: -21.074
flat angles P-C4'-P energy: -13.320
tors. eta vs tors. theta energy: -22.745
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 173
Temperature: 1.100000
Total energy: -245.633155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.633155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.633155 (E_RNA)
where:
Base-Base interactions energy: -165.896
where: short stacking energy: -64.892
Base-Backbone interact. energy: -0.373
local terms energy: -79.363921
where:
bonds (distance) C4'-P energy: -14.701
bonds (distance) P-C4' energy: -20.721
flat angles C4'-P-C4' energy: -18.528
flat angles P-C4'-P energy: -11.778
tors. eta vs tors. theta energy: -13.636
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 173
Temperature: 1.150000
Total energy: -232.330071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.330071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.330071 (E_RNA)
where:
Base-Base interactions energy: -146.025
where: short stacking energy: -74.850
Base-Backbone interact. energy: -0.292
local terms energy: -86.013967
where:
bonds (distance) C4'-P energy: -12.802
bonds (distance) P-C4' energy: -17.452
flat angles C4'-P-C4' energy: -21.041
flat angles P-C4'-P energy: -15.306
tors. eta vs tors. theta energy: -19.414
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 173
Temperature: 1.200000
Total energy: -225.488913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.488913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.488913 (E_RNA)
where:
Base-Base interactions energy: -145.881
where: short stacking energy: -69.009
Base-Backbone interact. energy: 0.080
local terms energy: -79.688311
where:
bonds (distance) C4'-P energy: -15.730
bonds (distance) P-C4' energy: -21.692
flat angles C4'-P-C4' energy: -19.313
flat angles P-C4'-P energy: -13.345
tors. eta vs tors. theta energy: -9.609
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 173
Temperature: 1.250000
Total energy: -209.958182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.958182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.958182 (E_RNA)
where:
Base-Base interactions energy: -132.596
where: short stacking energy: -58.872
Base-Backbone interact. energy: -0.025
local terms energy: -77.337254
where:
bonds (distance) C4'-P energy: -19.799
bonds (distance) P-C4' energy: -15.695
flat angles C4'-P-C4' energy: -19.888
flat angles P-C4'-P energy: -9.951
tors. eta vs tors. theta energy: -12.005
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 173
Temperature: 1.300000
Total energy: -119.611738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.611738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.611738 (E_RNA)
where:
Base-Base interactions energy: -50.550
where: short stacking energy: -35.377
Base-Backbone interact. energy: -0.120
local terms energy: -68.942124
where:
bonds (distance) C4'-P energy: -15.994
bonds (distance) P-C4' energy: -15.524
flat angles C4'-P-C4' energy: -20.442
flat angles P-C4'-P energy: -8.411
tors. eta vs tors. theta energy: -8.572
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 173
Temperature: 1.350000
Total energy: -101.159875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.159875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.159875 (E_RNA)
where:
Base-Base interactions energy: -37.823
where: short stacking energy: -29.482
Base-Backbone interact. energy: 0.143
local terms energy: -63.480112
where:
bonds (distance) C4'-P energy: -18.594
bonds (distance) P-C4' energy: -16.958
flat angles C4'-P-C4' energy: -16.368
flat angles P-C4'-P energy: -12.185
tors. eta vs tors. theta energy: 0.626
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 174
Temperature: 0.900000
Total energy: -343.817232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.817232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.817232 (E_RNA)
where:
Base-Base interactions energy: -241.842
where: short stacking energy: -100.172
Base-Backbone interact. energy: -0.054
local terms energy: -101.920714
where:
bonds (distance) C4'-P energy: -19.150
bonds (distance) P-C4' energy: -21.522
flat angles C4'-P-C4' energy: -22.502
flat angles P-C4'-P energy: -12.806
tors. eta vs tors. theta energy: -25.941
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 174
Temperature: 0.950000
Total energy: -309.281961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.281961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.281961 (E_RNA)
where:
Base-Base interactions energy: -206.701
where: short stacking energy: -102.894
Base-Backbone interact. energy: -0.091
local terms energy: -102.490091
where:
bonds (distance) C4'-P energy: -20.672
bonds (distance) P-C4' energy: -21.765
flat angles C4'-P-C4' energy: -21.671
flat angles P-C4'-P energy: -10.354
tors. eta vs tors. theta energy: -28.028
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 174
Temperature: 1.000000
Total energy: -309.039701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.039701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.039701 (E_RNA)
where:
Base-Base interactions energy: -200.987
where: short stacking energy: -94.509
Base-Backbone interact. energy: -1.019
local terms energy: -107.034026
where:
bonds (distance) C4'-P energy: -20.333
bonds (distance) P-C4' energy: -23.587
flat angles C4'-P-C4' energy: -21.798
flat angles P-C4'-P energy: -14.014
tors. eta vs tors. theta energy: -27.302
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 174
Temperature: 1.050000
Total energy: -257.300437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.300437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.300437 (E_RNA)
where:
Base-Base interactions energy: -170.081
where: short stacking energy: -79.196
Base-Backbone interact. energy: 0.356
local terms energy: -87.575985
where:
bonds (distance) C4'-P energy: -19.550
bonds (distance) P-C4' energy: -19.193
flat angles C4'-P-C4' energy: -15.493
flat angles P-C4'-P energy: -11.791
tors. eta vs tors. theta energy: -21.549
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 174
Temperature: 1.100000
Total energy: -251.452669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.452669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.452669 (E_RNA)
where:
Base-Base interactions energy: -169.626
where: short stacking energy: -75.575
Base-Backbone interact. energy: -0.518
local terms energy: -81.309152
where:
bonds (distance) C4'-P energy: -18.084
bonds (distance) P-C4' energy: -12.454
flat angles C4'-P-C4' energy: -16.046
flat angles P-C4'-P energy: -14.893
tors. eta vs tors. theta energy: -19.832
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 174
Temperature: 1.150000
Total energy: -231.603066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.603066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.603066 (E_RNA)
where:
Base-Base interactions energy: -147.216
where: short stacking energy: -59.289
Base-Backbone interact. energy: -1.521
local terms energy: -82.865838
where:
bonds (distance) C4'-P energy: -20.246
bonds (distance) P-C4' energy: -21.182
flat angles C4'-P-C4' energy: -18.867
flat angles P-C4'-P energy: -12.706
tors. eta vs tors. theta energy: -9.865
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 174
Temperature: 1.200000
Total energy: -230.883385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.883385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.883385 (E_RNA)
where:
Base-Base interactions energy: -152.962
where: short stacking energy: -65.767
Base-Backbone interact. energy: -0.037
local terms energy: -77.884965
where:
bonds (distance) C4'-P energy: -15.501
bonds (distance) P-C4' energy: -14.205
flat angles C4'-P-C4' energy: -19.919
flat angles P-C4'-P energy: -12.957
tors. eta vs tors. theta energy: -15.304
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 174
Temperature: 1.250000
Total energy: -217.119955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.119955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.119955 (E_RNA)
where:
Base-Base interactions energy: -144.004
where: short stacking energy: -78.140
Base-Backbone interact. energy: -0.410
local terms energy: -72.706032
where:
bonds (distance) C4'-P energy: -17.874
bonds (distance) P-C4' energy: -6.832
flat angles C4'-P-C4' energy: -17.754
flat angles P-C4'-P energy: -12.327
tors. eta vs tors. theta energy: -17.919
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 174
Temperature: 1.300000
Total energy: -107.011141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.011141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.011141 (E_RNA)
where:
Base-Base interactions energy: -41.060
where: short stacking energy: -32.253
Base-Backbone interact. energy: -0.246
local terms energy: -65.705199
where:
bonds (distance) C4'-P energy: -13.983
bonds (distance) P-C4' energy: -15.740
flat angles C4'-P-C4' energy: -21.453
flat angles P-C4'-P energy: -10.503
tors. eta vs tors. theta energy: -4.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 174
Temperature: 1.350000
Total energy: -103.103859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.103859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.103859 (E_RNA)
where:
Base-Base interactions energy: -54.370
where: short stacking energy: -31.213
Base-Backbone interact. energy: -0.225
local terms energy: -48.508436
where:
bonds (distance) C4'-P energy: -12.682
bonds (distance) P-C4' energy: -18.323
flat angles C4'-P-C4' energy: -19.899
flat angles P-C4'-P energy: -3.189
tors. eta vs tors. theta energy: 5.585
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 175
Temperature: 0.900000
Total energy: -339.885169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.885169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.885169 (E_RNA)
where:
Base-Base interactions energy: -245.736
where: short stacking energy: -99.532
Base-Backbone interact. energy: -0.283
local terms energy: -93.866347
where:
bonds (distance) C4'-P energy: -18.884
bonds (distance) P-C4' energy: -17.720
flat angles C4'-P-C4' energy: -19.901
flat angles P-C4'-P energy: -13.099
tors. eta vs tors. theta energy: -24.263
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 175
Temperature: 0.950000
Total energy: -304.244935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.244935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.244935 (E_RNA)
where:
Base-Base interactions energy: -204.787
where: short stacking energy: -97.085
Base-Backbone interact. energy: -0.517
local terms energy: -98.941264
where:
bonds (distance) C4'-P energy: -13.846
bonds (distance) P-C4' energy: -23.078
flat angles C4'-P-C4' energy: -19.623
flat angles P-C4'-P energy: -13.663
tors. eta vs tors. theta energy: -28.731
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 175
Temperature: 1.000000
Total energy: -283.120501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.120501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.120501 (E_RNA)
where:
Base-Base interactions energy: -188.306
where: short stacking energy: -87.170
Base-Backbone interact. energy: -0.497
local terms energy: -94.317855
where:
bonds (distance) C4'-P energy: -21.194
bonds (distance) P-C4' energy: -17.091
flat angles C4'-P-C4' energy: -17.956
flat angles P-C4'-P energy: -14.858
tors. eta vs tors. theta energy: -23.219
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 175
Temperature: 1.050000
Total energy: -264.289231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.289231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.289231 (E_RNA)
where:
Base-Base interactions energy: -171.841
where: short stacking energy: -85.464
Base-Backbone interact. energy: -0.234
local terms energy: -92.214631
where:
bonds (distance) C4'-P energy: -17.617
bonds (distance) P-C4' energy: -18.969
flat angles C4'-P-C4' energy: -20.884
flat angles P-C4'-P energy: -14.731
tors. eta vs tors. theta energy: -20.013
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 175
Temperature: 1.100000
Total energy: -267.771977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.771977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.771977 (E_RNA)
where:
Base-Base interactions energy: -175.844
where: short stacking energy: -77.320
Base-Backbone interact. energy: 0.247
local terms energy: -92.174803
where:
bonds (distance) C4'-P energy: -20.717
bonds (distance) P-C4' energy: -18.103
flat angles C4'-P-C4' energy: -21.289
flat angles P-C4'-P energy: -12.252
tors. eta vs tors. theta energy: -19.813
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 175
Temperature: 1.150000
Total energy: -244.541307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.541307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.541307 (E_RNA)
where:
Base-Base interactions energy: -156.880
where: short stacking energy: -63.065
Base-Backbone interact. energy: -0.098
local terms energy: -87.562933
where:
bonds (distance) C4'-P energy: -18.154
bonds (distance) P-C4' energy: -17.601
flat angles C4'-P-C4' energy: -21.887
flat angles P-C4'-P energy: -14.557
tors. eta vs tors. theta energy: -15.363
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 175
Temperature: 1.200000
Total energy: -223.173473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.173473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.173473 (E_RNA)
where:
Base-Base interactions energy: -142.658
where: short stacking energy: -76.274
Base-Backbone interact. energy: 0.904
local terms energy: -81.419260
where:
bonds (distance) C4'-P energy: -16.765
bonds (distance) P-C4' energy: -20.014
flat angles C4'-P-C4' energy: -15.487
flat angles P-C4'-P energy: -10.763
tors. eta vs tors. theta energy: -18.390
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 175
Temperature: 1.250000
Total energy: -214.432458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.432458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.432458 (E_RNA)
where:
Base-Base interactions energy: -132.127
where: short stacking energy: -67.953
Base-Backbone interact. energy: -0.068
local terms energy: -82.237344
where:
bonds (distance) C4'-P energy: -16.383
bonds (distance) P-C4' energy: -18.321
flat angles C4'-P-C4' energy: -19.881
flat angles P-C4'-P energy: -9.936
tors. eta vs tors. theta energy: -17.716
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 175
Temperature: 1.300000
Total energy: -113.587089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.587089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.587089 (E_RNA)
where:
Base-Base interactions energy: -44.160
where: short stacking energy: -29.738
Base-Backbone interact. energy: -0.069
local terms energy: -69.358889
where:
bonds (distance) C4'-P energy: -15.984
bonds (distance) P-C4' energy: -23.970
flat angles C4'-P-C4' energy: -15.374
flat angles P-C4'-P energy: -12.707
tors. eta vs tors. theta energy: -1.324
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 175
Temperature: 1.350000
Total energy: -104.170236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.170236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.170236 (E_RNA)
where:
Base-Base interactions energy: -49.236
where: short stacking energy: -31.024
Base-Backbone interact. energy: -0.111
local terms energy: -54.822984
where:
bonds (distance) C4'-P energy: -16.616
bonds (distance) P-C4' energy: -13.722
flat angles C4'-P-C4' energy: -18.034
flat angles P-C4'-P energy: -13.477
tors. eta vs tors. theta energy: 7.027
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 176
Temperature: 0.900000
Total energy: -340.575573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.575573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.575573 (E_RNA)
where:
Base-Base interactions energy: -242.334
where: short stacking energy: -95.184
Base-Backbone interact. energy: -1.887
local terms energy: -96.354627
where:
bonds (distance) C4'-P energy: -18.780
bonds (distance) P-C4' energy: -21.440
flat angles C4'-P-C4' energy: -19.291
flat angles P-C4'-P energy: -15.874
tors. eta vs tors. theta energy: -20.969
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 176
Temperature: 0.950000
Total energy: -294.454377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.454377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.454377 (E_RNA)
where:
Base-Base interactions energy: -194.249
where: short stacking energy: -95.805
Base-Backbone interact. energy: 0.093
local terms energy: -100.298338
where:
bonds (distance) C4'-P energy: -18.237
bonds (distance) P-C4' energy: -19.678
flat angles C4'-P-C4' energy: -21.100
flat angles P-C4'-P energy: -14.380
tors. eta vs tors. theta energy: -26.905
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 176
Temperature: 1.000000
Total energy: -294.295281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.295281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.295281 (E_RNA)
where:
Base-Base interactions energy: -202.885
where: short stacking energy: -77.968
Base-Backbone interact. energy: -0.629
local terms energy: -90.780994
where:
bonds (distance) C4'-P energy: -19.385
bonds (distance) P-C4' energy: -18.284
flat angles C4'-P-C4' energy: -20.891
flat angles P-C4'-P energy: -14.869
tors. eta vs tors. theta energy: -17.352
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 176
Temperature: 1.050000
Total energy: -256.448265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.448265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.448265 (E_RNA)
where:
Base-Base interactions energy: -178.782
where: short stacking energy: -81.005
Base-Backbone interact. energy: -0.586
local terms energy: -77.080505
where:
bonds (distance) C4'-P energy: -12.897
bonds (distance) P-C4' energy: -19.597
flat angles C4'-P-C4' energy: -13.069
flat angles P-C4'-P energy: -13.274
tors. eta vs tors. theta energy: -18.244
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 176
Temperature: 1.100000
Total energy: -261.806806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.806806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.806806 (E_RNA)
where:
Base-Base interactions energy: -177.189
where: short stacking energy: -71.369
Base-Backbone interact. energy: -1.144
local terms energy: -83.473339
where:
bonds (distance) C4'-P energy: -11.974
bonds (distance) P-C4' energy: -18.333
flat angles C4'-P-C4' energy: -20.903
flat angles P-C4'-P energy: -16.215
tors. eta vs tors. theta energy: -16.047
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 176
Temperature: 1.150000
Total energy: -252.938375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.938375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.938375 (E_RNA)
where:
Base-Base interactions energy: -174.587
where: short stacking energy: -77.804
Base-Backbone interact. energy: -0.764
local terms energy: -77.586603
where:
bonds (distance) C4'-P energy: -17.527
bonds (distance) P-C4' energy: -16.053
flat angles C4'-P-C4' energy: -17.983
flat angles P-C4'-P energy: -11.517
tors. eta vs tors. theta energy: -14.507
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 176
Temperature: 1.200000
Total energy: -227.755037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.755037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.755037 (E_RNA)
where:
Base-Base interactions energy: -150.859
where: short stacking energy: -76.631
Base-Backbone interact. energy: -0.074
local terms energy: -76.822500
where:
bonds (distance) C4'-P energy: -19.960
bonds (distance) P-C4' energy: -18.497
flat angles C4'-P-C4' energy: -13.740
flat angles P-C4'-P energy: -6.666
tors. eta vs tors. theta energy: -17.959
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 176
Temperature: 1.250000
Total energy: -232.462351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.462351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.462351 (E_RNA)
where:
Base-Base interactions energy: -156.502
where: short stacking energy: -83.749
Base-Backbone interact. energy: -0.981
local terms energy: -74.979703
where:
bonds (distance) C4'-P energy: -15.632
bonds (distance) P-C4' energy: -12.775
flat angles C4'-P-C4' energy: -16.262
flat angles P-C4'-P energy: -10.257
tors. eta vs tors. theta energy: -20.054
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 176
Temperature: 1.300000
Total energy: -112.125410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.125410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.125410 (E_RNA)
where:
Base-Base interactions energy: -48.424
where: short stacking energy: -33.844
Base-Backbone interact. energy: -0.241
local terms energy: -63.460839
where:
bonds (distance) C4'-P energy: -14.598
bonds (distance) P-C4' energy: -20.955
flat angles C4'-P-C4' energy: -22.470
flat angles P-C4'-P energy: -6.889
tors. eta vs tors. theta energy: 1.451
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 176
Temperature: 1.350000
Total energy: -104.433974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.433974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.433974 (E_RNA)
where:
Base-Base interactions energy: -50.117
where: short stacking energy: -46.733
Base-Backbone interact. energy: -0.305
local terms energy: -54.011661
where:
bonds (distance) C4'-P energy: -22.840
bonds (distance) P-C4' energy: -13.983
flat angles C4'-P-C4' energy: -9.586
flat angles P-C4'-P energy: -4.773
tors. eta vs tors. theta energy: -2.829
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 177
Temperature: 0.900000
Total energy: -346.410682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.410682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.410682 (E_RNA)
where:
Base-Base interactions energy: -243.847
where: short stacking energy: -91.705
Base-Backbone interact. energy: -0.197
local terms energy: -102.367019
where:
bonds (distance) C4'-P energy: -22.295
bonds (distance) P-C4' energy: -21.683
flat angles C4'-P-C4' energy: -18.977
flat angles P-C4'-P energy: -15.265
tors. eta vs tors. theta energy: -24.147
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 177
Temperature: 0.950000
Total energy: -291.104141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.104141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.104141 (E_RNA)
where:
Base-Base interactions energy: -194.772
where: short stacking energy: -94.876
Base-Backbone interact. energy: -0.337
local terms energy: -95.995462
where:
bonds (distance) C4'-P energy: -20.560
bonds (distance) P-C4' energy: -18.670
flat angles C4'-P-C4' energy: -18.249
flat angles P-C4'-P energy: -16.418
tors. eta vs tors. theta energy: -22.099
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 177
Temperature: 1.000000
Total energy: -292.725002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.725002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.725002 (E_RNA)
where:
Base-Base interactions energy: -197.348
where: short stacking energy: -95.702
Base-Backbone interact. energy: -0.947
local terms energy: -94.429969
where:
bonds (distance) C4'-P energy: -20.093
bonds (distance) P-C4' energy: -13.122
flat angles C4'-P-C4' energy: -20.631
flat angles P-C4'-P energy: -10.601
tors. eta vs tors. theta energy: -29.982
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 177
Temperature: 1.050000
Total energy: -271.183217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.183217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.183217 (E_RNA)
where:
Base-Base interactions energy: -184.135
where: short stacking energy: -74.998
Base-Backbone interact. energy: -0.483
local terms energy: -86.565315
where:
bonds (distance) C4'-P energy: -17.512
bonds (distance) P-C4' energy: -18.210
flat angles C4'-P-C4' energy: -22.344
flat angles P-C4'-P energy: -11.564
tors. eta vs tors. theta energy: -16.934
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 177
Temperature: 1.100000
Total energy: -252.677250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.677250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.677250 (E_RNA)
where:
Base-Base interactions energy: -159.266
where: short stacking energy: -75.611
Base-Backbone interact. energy: -0.084
local terms energy: -93.327416
where:
bonds (distance) C4'-P energy: -18.084
bonds (distance) P-C4' energy: -20.229
flat angles C4'-P-C4' energy: -18.865
flat angles P-C4'-P energy: -12.979
tors. eta vs tors. theta energy: -23.170
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 177
Temperature: 1.150000
Total energy: -253.118519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.118519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.118519 (E_RNA)
where:
Base-Base interactions energy: -170.417
where: short stacking energy: -79.679
Base-Backbone interact. energy: -0.285
local terms energy: -82.417005
where:
bonds (distance) C4'-P energy: -10.571
bonds (distance) P-C4' energy: -21.961
flat angles C4'-P-C4' energy: -20.487
flat angles P-C4'-P energy: -11.731
tors. eta vs tors. theta energy: -17.667
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 177
Temperature: 1.200000
Total energy: -243.174737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.174737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.174737 (E_RNA)
where:
Base-Base interactions energy: -153.402
where: short stacking energy: -73.209
Base-Backbone interact. energy: -0.563
local terms energy: -89.209919
where:
bonds (distance) C4'-P energy: -14.384
bonds (distance) P-C4' energy: -23.280
flat angles C4'-P-C4' energy: -19.206
flat angles P-C4'-P energy: -11.141
tors. eta vs tors. theta energy: -21.199
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 177
Temperature: 1.250000
Total energy: -218.227536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.227536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.227536 (E_RNA)
where:
Base-Base interactions energy: -139.091
where: short stacking energy: -61.633
Base-Backbone interact. energy: -0.299
local terms energy: -78.837279
where:
bonds (distance) C4'-P energy: -13.830
bonds (distance) P-C4' energy: -18.098
flat angles C4'-P-C4' energy: -19.729
flat angles P-C4'-P energy: -9.492
tors. eta vs tors. theta energy: -17.688
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 177
Temperature: 1.300000
Total energy: -104.457041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.457041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.457041 (E_RNA)
where:
Base-Base interactions energy: -56.252
where: short stacking energy: -25.430
Base-Backbone interact. energy: -0.477
local terms energy: -47.728234
where:
bonds (distance) C4'-P energy: -19.710
bonds (distance) P-C4' energy: -20.360
flat angles C4'-P-C4' energy: -8.165
flat angles P-C4'-P energy: -8.906
tors. eta vs tors. theta energy: 9.413
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 177
Temperature: 1.350000
Total energy: -103.869068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.869068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.869068 (E_RNA)
where:
Base-Base interactions energy: -40.342
where: short stacking energy: -39.156
Base-Backbone interact. energy: -0.546
local terms energy: -62.981757
where:
bonds (distance) C4'-P energy: -18.452
bonds (distance) P-C4' energy: -16.641
flat angles C4'-P-C4' energy: -11.080
flat angles P-C4'-P energy: -9.228
tors. eta vs tors. theta energy: -7.581
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 178
Temperature: 0.900000
Total energy: -310.817883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.817883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.817883 (E_RNA)
where:
Base-Base interactions energy: -220.792
where: short stacking energy: -91.559
Base-Backbone interact. energy: -1.020
local terms energy: -89.005733
where:
bonds (distance) C4'-P energy: -20.062
bonds (distance) P-C4' energy: -15.424
flat angles C4'-P-C4' energy: -20.403
flat angles P-C4'-P energy: -11.483
tors. eta vs tors. theta energy: -21.633
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 178
Temperature: 0.950000
Total energy: -339.296162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.296162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.296162 (E_RNA)
where:
Base-Base interactions energy: -246.477
where: short stacking energy: -95.059
Base-Backbone interact. energy: 0.237
local terms energy: -93.056773
where:
bonds (distance) C4'-P energy: -21.985
bonds (distance) P-C4' energy: -22.485
flat angles C4'-P-C4' energy: -15.370
flat angles P-C4'-P energy: -9.892
tors. eta vs tors. theta energy: -23.325
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 178
Temperature: 1.000000
Total energy: -300.627459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.627459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.627459 (E_RNA)
where:
Base-Base interactions energy: -207.796
where: short stacking energy: -89.443
Base-Backbone interact. energy: -0.608
local terms energy: -92.223449
where:
bonds (distance) C4'-P energy: -14.909
bonds (distance) P-C4' energy: -22.729
flat angles C4'-P-C4' energy: -21.581
flat angles P-C4'-P energy: -10.745
tors. eta vs tors. theta energy: -22.259
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 178
Temperature: 1.050000
Total energy: -293.702961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.702961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.702961 (E_RNA)
where:
Base-Base interactions energy: -198.807
where: short stacking energy: -99.345
Base-Backbone interact. energy: -0.273
local terms energy: -94.622424
where:
bonds (distance) C4'-P energy: -20.217
bonds (distance) P-C4' energy: -23.032
flat angles C4'-P-C4' energy: -18.708
flat angles P-C4'-P energy: -9.486
tors. eta vs tors. theta energy: -23.180
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 178
Temperature: 1.100000
Total energy: -253.019505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.019505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.019505 (E_RNA)
where:
Base-Base interactions energy: -176.393
where: short stacking energy: -80.583
Base-Backbone interact. energy: -0.479
local terms energy: -76.147475
where:
bonds (distance) C4'-P energy: -10.729
bonds (distance) P-C4' energy: -20.272
flat angles C4'-P-C4' energy: -15.152
flat angles P-C4'-P energy: -9.625
tors. eta vs tors. theta energy: -20.370
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 178
Temperature: 1.150000
Total energy: -237.717341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.717341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.717341 (E_RNA)
where:
Base-Base interactions energy: -153.669
where: short stacking energy: -75.254
Base-Backbone interact. energy: 0.285
local terms energy: -84.333005
where:
bonds (distance) C4'-P energy: -16.381
bonds (distance) P-C4' energy: -16.346
flat angles C4'-P-C4' energy: -19.853
flat angles P-C4'-P energy: -14.954
tors. eta vs tors. theta energy: -16.799
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 178
Temperature: 1.200000
Total energy: -228.361728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.361728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.361728 (E_RNA)
where:
Base-Base interactions energy: -155.548
where: short stacking energy: -65.468
Base-Backbone interact. energy: -0.049
local terms energy: -72.765269
where:
bonds (distance) C4'-P energy: -15.345
bonds (distance) P-C4' energy: -15.779
flat angles C4'-P-C4' energy: -18.381
flat angles P-C4'-P energy: -9.000
tors. eta vs tors. theta energy: -14.262
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 178
Temperature: 1.250000
Total energy: -211.511045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.511045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.511045 (E_RNA)
where:
Base-Base interactions energy: -132.862
where: short stacking energy: -55.793
Base-Backbone interact. energy: -0.104
local terms energy: -78.544781
where:
bonds (distance) C4'-P energy: -20.713
bonds (distance) P-C4' energy: -17.499
flat angles C4'-P-C4' energy: -17.283
flat angles P-C4'-P energy: -8.850
tors. eta vs tors. theta energy: -14.200
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 178
Temperature: 1.300000
Total energy: -145.596897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.596897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.596897 (E_RNA)
where:
Base-Base interactions energy: -75.241
where: short stacking energy: -37.978
Base-Backbone interact. energy: -0.592
local terms energy: -69.763248
where:
bonds (distance) C4'-P energy: -18.080
bonds (distance) P-C4' energy: -19.793
flat angles C4'-P-C4' energy: -16.660
flat angles P-C4'-P energy: -9.036
tors. eta vs tors. theta energy: -6.195
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 178
Temperature: 1.350000
Total energy: -103.610652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.610652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.610652 (E_RNA)
where:
Base-Base interactions energy: -37.086
where: short stacking energy: -26.481
Base-Backbone interact. energy: 0.149
local terms energy: -66.674491
where:
bonds (distance) C4'-P energy: -20.403
bonds (distance) P-C4' energy: -16.879
flat angles C4'-P-C4' energy: -17.014
flat angles P-C4'-P energy: -11.228
tors. eta vs tors. theta energy: -1.152
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 179
Temperature: 0.900000
Total energy: -303.123434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.123434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.123434 (E_RNA)
where:
Base-Base interactions energy: -215.254
where: short stacking energy: -84.301
Base-Backbone interact. energy: -0.305
local terms energy: -87.563786
where:
bonds (distance) C4'-P energy: -21.190
bonds (distance) P-C4' energy: -20.351
flat angles C4'-P-C4' energy: -14.527
flat angles P-C4'-P energy: -13.837
tors. eta vs tors. theta energy: -17.659
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 179
Temperature: 0.950000
Total energy: -292.644609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.644609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.644609 (E_RNA)
where:
Base-Base interactions energy: -201.732
where: short stacking energy: -90.312
Base-Backbone interact. energy: -1.022
local terms energy: -89.891128
where:
bonds (distance) C4'-P energy: -17.021
bonds (distance) P-C4' energy: -21.449
flat angles C4'-P-C4' energy: -20.421
flat angles P-C4'-P energy: -11.419
tors. eta vs tors. theta energy: -19.580
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 179
Temperature: 1.000000
Total energy: -327.396281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.396281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.396281 (E_RNA)
where:
Base-Base interactions energy: -238.330
where: short stacking energy: -89.144
Base-Backbone interact. energy: -0.489
local terms energy: -88.577407
where:
bonds (distance) C4'-P energy: -11.424
bonds (distance) P-C4' energy: -18.907
flat angles C4'-P-C4' energy: -22.452
flat angles P-C4'-P energy: -12.488
tors. eta vs tors. theta energy: -23.306
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 179
Temperature: 1.050000
Total energy: -269.629123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.629123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.629123 (E_RNA)
where:
Base-Base interactions energy: -179.875
where: short stacking energy: -80.615
Base-Backbone interact. energy: -0.237
local terms energy: -89.516947
where:
bonds (distance) C4'-P energy: -19.085
bonds (distance) P-C4' energy: -19.731
flat angles C4'-P-C4' energy: -15.993
flat angles P-C4'-P energy: -12.822
tors. eta vs tors. theta energy: -21.885
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 179
Temperature: 1.100000
Total energy: -252.895237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.895237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.895237 (E_RNA)
where:
Base-Base interactions energy: -176.541
where: short stacking energy: -71.445
Base-Backbone interact. energy: 0.481
local terms energy: -76.835979
where:
bonds (distance) C4'-P energy: -13.006
bonds (distance) P-C4' energy: -14.383
flat angles C4'-P-C4' energy: -20.396
flat angles P-C4'-P energy: -13.957
tors. eta vs tors. theta energy: -15.093
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 179
Temperature: 1.150000
Total energy: -248.970324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.970324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.970324 (E_RNA)
where:
Base-Base interactions energy: -166.852
where: short stacking energy: -70.013
Base-Backbone interact. energy: -0.062
local terms energy: -82.056530
where:
bonds (distance) C4'-P energy: -18.557
bonds (distance) P-C4' energy: -20.446
flat angles C4'-P-C4' energy: -13.934
flat angles P-C4'-P energy: -12.929
tors. eta vs tors. theta energy: -16.190
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 179
Temperature: 1.200000
Total energy: -230.510945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.510945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.510945 (E_RNA)
where:
Base-Base interactions energy: -149.881
where: short stacking energy: -71.004
Base-Backbone interact. energy: -0.007
local terms energy: -80.622490
where:
bonds (distance) C4'-P energy: -13.863
bonds (distance) P-C4' energy: -16.217
flat angles C4'-P-C4' energy: -20.653
flat angles P-C4'-P energy: -14.109
tors. eta vs tors. theta energy: -15.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 179
Temperature: 1.250000
Total energy: -218.432468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.432468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.432468 (E_RNA)
where:
Base-Base interactions energy: -135.894
where: short stacking energy: -68.360
Base-Backbone interact. energy: -0.440
local terms energy: -82.097907
where:
bonds (distance) C4'-P energy: -17.500
bonds (distance) P-C4' energy: -21.837
flat angles C4'-P-C4' energy: -14.028
flat angles P-C4'-P energy: -10.200
tors. eta vs tors. theta energy: -18.533
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 179
Temperature: 1.300000
Total energy: -100.750540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.750540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.750540 (E_RNA)
where:
Base-Base interactions energy: -39.137
where: short stacking energy: -39.137
Base-Backbone interact. energy: -0.028
local terms energy: -61.585481
where:
bonds (distance) C4'-P energy: -19.074
bonds (distance) P-C4' energy: -13.862
flat angles C4'-P-C4' energy: -9.704
flat angles P-C4'-P energy: -13.040
tors. eta vs tors. theta energy: -5.906
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 179
Temperature: 1.350000
Total energy: -97.524589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.524589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.524589 (E_RNA)
where:
Base-Base interactions energy: -51.994
where: short stacking energy: -43.409
Base-Backbone interact. energy: -0.280
local terms energy: -45.250724
where:
bonds (distance) C4'-P energy: -14.728
bonds (distance) P-C4' energy: -13.842
flat angles C4'-P-C4' energy: -11.063
flat angles P-C4'-P energy: -7.108
tors. eta vs tors. theta energy: 1.489
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 180
Temperature: 0.900000
Total energy: -302.946649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.946649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.946649 (E_RNA)
where:
Base-Base interactions energy: -208.013
where: short stacking energy: -95.101
Base-Backbone interact. energy: 0.166
local terms energy: -95.099201
where:
bonds (distance) C4'-P energy: -16.955
bonds (distance) P-C4' energy: -20.301
flat angles C4'-P-C4' energy: -19.500
flat angles P-C4'-P energy: -16.427
tors. eta vs tors. theta energy: -21.916
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 180
Temperature: 0.950000
Total energy: -310.603465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.603465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.603465 (E_RNA)
where:
Base-Base interactions energy: -217.987
where: short stacking energy: -96.105
Base-Backbone interact. energy: -0.185
local terms energy: -92.431105
where:
bonds (distance) C4'-P energy: -18.668
bonds (distance) P-C4' energy: -20.140
flat angles C4'-P-C4' energy: -19.996
flat angles P-C4'-P energy: -10.954
tors. eta vs tors. theta energy: -22.673
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 180
Temperature: 1.000000
Total energy: -328.649161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.649161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.649161 (E_RNA)
where:
Base-Base interactions energy: -242.758
where: short stacking energy: -95.975
Base-Backbone interact. energy: -0.532
local terms energy: -85.359528
where:
bonds (distance) C4'-P energy: -15.674
bonds (distance) P-C4' energy: -16.689
flat angles C4'-P-C4' energy: -19.040
flat angles P-C4'-P energy: -9.334
tors. eta vs tors. theta energy: -24.622
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 180
Temperature: 1.050000
Total energy: -268.503760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.503760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.503760 (E_RNA)
where:
Base-Base interactions energy: -171.003
where: short stacking energy: -90.749
Base-Backbone interact. energy: -0.277
local terms energy: -97.223967
where:
bonds (distance) C4'-P energy: -18.523
bonds (distance) P-C4' energy: -17.029
flat angles C4'-P-C4' energy: -22.862
flat angles P-C4'-P energy: -18.547
tors. eta vs tors. theta energy: -20.262
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 180
Temperature: 1.100000
Total energy: -240.437702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.437702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.437702 (E_RNA)
where:
Base-Base interactions energy: -164.935
where: short stacking energy: -75.260
Base-Backbone interact. energy: 0.048
local terms energy: -75.550769
where:
bonds (distance) C4'-P energy: -14.422
bonds (distance) P-C4' energy: -14.123
flat angles C4'-P-C4' energy: -18.798
flat angles P-C4'-P energy: -5.430
tors. eta vs tors. theta energy: -22.778
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 180
Temperature: 1.150000
Total energy: -262.776275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.776275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.776275 (E_RNA)
where:
Base-Base interactions energy: -177.924
where: short stacking energy: -76.313
Base-Backbone interact. energy: -0.204
local terms energy: -84.648172
where:
bonds (distance) C4'-P energy: -14.738
bonds (distance) P-C4' energy: -20.437
flat angles C4'-P-C4' energy: -19.508
flat angles P-C4'-P energy: -12.607
tors. eta vs tors. theta energy: -17.358
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 180
Temperature: 1.200000
Total energy: -219.119992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.119992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.119992 (E_RNA)
where:
Base-Base interactions energy: -136.473
where: short stacking energy: -67.319
Base-Backbone interact. energy: -0.260
local terms energy: -82.386851
where:
bonds (distance) C4'-P energy: -14.702
bonds (distance) P-C4' energy: -18.717
flat angles C4'-P-C4' energy: -15.802
flat angles P-C4'-P energy: -14.263
tors. eta vs tors. theta energy: -18.903
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 180
Temperature: 1.250000
Total energy: -212.372183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.372183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.372183 (E_RNA)
where:
Base-Base interactions energy: -142.693
where: short stacking energy: -61.362
Base-Backbone interact. energy: -0.232
local terms energy: -69.446594
where:
bonds (distance) C4'-P energy: -21.023
bonds (distance) P-C4' energy: -13.921
flat angles C4'-P-C4' energy: -17.284
flat angles P-C4'-P energy: -9.820
tors. eta vs tors. theta energy: -7.399
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 180
Temperature: 1.300000
Total energy: -109.755040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.755040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.755040 (E_RNA)
where:
Base-Base interactions energy: -35.495
where: short stacking energy: -35.512
Base-Backbone interact. energy: -0.115
local terms energy: -74.144550
where:
bonds (distance) C4'-P energy: -19.720
bonds (distance) P-C4' energy: -20.051
flat angles C4'-P-C4' energy: -19.789
flat angles P-C4'-P energy: -8.954
tors. eta vs tors. theta energy: -5.630
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 180
Temperature: 1.350000
Total energy: -160.608562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.608562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.608562 (E_RNA)
where:
Base-Base interactions energy: -91.260
where: short stacking energy: -50.358
Base-Backbone interact. energy: -0.358
local terms energy: -68.990438
where:
bonds (distance) C4'-P energy: -12.729
bonds (distance) P-C4' energy: -16.978
flat angles C4'-P-C4' energy: -19.388
flat angles P-C4'-P energy: -9.581
tors. eta vs tors. theta energy: -10.315
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 181
Temperature: 0.900000
Total energy: -305.266840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.266840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.266840 (E_RNA)
where:
Base-Base interactions energy: -206.740
where: short stacking energy: -97.307
Base-Backbone interact. energy: 0.692
local terms energy: -99.218283
where:
bonds (distance) C4'-P energy: -18.205
bonds (distance) P-C4' energy: -17.786
flat angles C4'-P-C4' energy: -20.585
flat angles P-C4'-P energy: -16.701
tors. eta vs tors. theta energy: -25.942
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 181
Temperature: 0.950000
Total energy: -341.783586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.783586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.783586 (E_RNA)
where:
Base-Base interactions energy: -241.191
where: short stacking energy: -88.334
Base-Backbone interact. energy: -0.326
local terms energy: -100.266845
where:
bonds (distance) C4'-P energy: -19.597
bonds (distance) P-C4' energy: -20.326
flat angles C4'-P-C4' energy: -21.377
flat angles P-C4'-P energy: -13.439
tors. eta vs tors. theta energy: -25.528
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 181
Temperature: 1.000000
Total energy: -303.063684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.063684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.063684 (E_RNA)
where:
Base-Base interactions energy: -204.072
where: short stacking energy: -89.982
Base-Backbone interact. energy: -1.409
local terms energy: -97.582286
where:
bonds (distance) C4'-P energy: -22.266
bonds (distance) P-C4' energy: -18.430
flat angles C4'-P-C4' energy: -19.516
flat angles P-C4'-P energy: -12.431
tors. eta vs tors. theta energy: -24.939
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 181
Temperature: 1.050000
Total energy: -256.441291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.441291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.441291 (E_RNA)
where:
Base-Base interactions energy: -159.505
where: short stacking energy: -74.831
Base-Backbone interact. energy: 0.692
local terms energy: -97.628220
where:
bonds (distance) C4'-P energy: -17.987
bonds (distance) P-C4' energy: -21.144
flat angles C4'-P-C4' energy: -20.827
flat angles P-C4'-P energy: -15.182
tors. eta vs tors. theta energy: -22.489
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 181
Temperature: 1.100000
Total energy: -259.313102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.313102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.313102 (E_RNA)
where:
Base-Base interactions energy: -173.365
where: short stacking energy: -89.492
Base-Backbone interact. energy: -0.150
local terms energy: -85.798211
where:
bonds (distance) C4'-P energy: -18.056
bonds (distance) P-C4' energy: -18.649
flat angles C4'-P-C4' energy: -19.383
flat angles P-C4'-P energy: -10.767
tors. eta vs tors. theta energy: -18.942
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 181
Temperature: 1.150000
Total energy: -225.324046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.324046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.324046 (E_RNA)
where:
Base-Base interactions energy: -138.201
where: short stacking energy: -66.083
Base-Backbone interact. energy: -1.424
local terms energy: -85.699541
where:
bonds (distance) C4'-P energy: -21.417
bonds (distance) P-C4' energy: -21.915
flat angles C4'-P-C4' energy: -17.162
flat angles P-C4'-P energy: -9.041
tors. eta vs tors. theta energy: -16.165
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 181
Temperature: 1.200000
Total energy: -235.522260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.522260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.522260 (E_RNA)
where:
Base-Base interactions energy: -160.539
where: short stacking energy: -61.162
Base-Backbone interact. energy: -0.424
local terms energy: -74.559057
where:
bonds (distance) C4'-P energy: -20.395
bonds (distance) P-C4' energy: -12.966
flat angles C4'-P-C4' energy: -15.849
flat angles P-C4'-P energy: -7.357
tors. eta vs tors. theta energy: -17.991
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 181
Temperature: 1.250000
Total energy: -231.688393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.688393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.688393 (E_RNA)
where:
Base-Base interactions energy: -156.265
where: short stacking energy: -83.102
Base-Backbone interact. energy: -0.250
local terms energy: -75.173281
where:
bonds (distance) C4'-P energy: -17.414
bonds (distance) P-C4' energy: -14.291
flat angles C4'-P-C4' energy: -19.624
flat angles P-C4'-P energy: -1.102
tors. eta vs tors. theta energy: -22.743
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 181
Temperature: 1.300000
Total energy: -109.982545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.982545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.982545 (E_RNA)
where:
Base-Base interactions energy: -52.298
where: short stacking energy: -42.279
Base-Backbone interact. energy: -0.374
local terms energy: -57.310625
where:
bonds (distance) C4'-P energy: -11.626
bonds (distance) P-C4' energy: -18.385
flat angles C4'-P-C4' energy: -19.018
flat angles P-C4'-P energy: -10.009
tors. eta vs tors. theta energy: 1.727
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 181
Temperature: 1.350000
Total energy: -168.573314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.573314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.573314 (E_RNA)
where:
Base-Base interactions energy: -101.927
where: short stacking energy: -58.727
Base-Backbone interact. energy: -0.038
local terms energy: -66.608159
where:
bonds (distance) C4'-P energy: -17.150
bonds (distance) P-C4' energy: -13.154
flat angles C4'-P-C4' energy: -21.118
flat angles P-C4'-P energy: -5.678
tors. eta vs tors. theta energy: -9.509
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 182
Temperature: 0.900000
Total energy: -348.783183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.783183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.783183 (E_RNA)
where:
Base-Base interactions energy: -248.367
where: short stacking energy: -101.332
Base-Backbone interact. energy: -0.351
local terms energy: -100.065132
where:
bonds (distance) C4'-P energy: -17.103
bonds (distance) P-C4' energy: -19.901
flat angles C4'-P-C4' energy: -19.576
flat angles P-C4'-P energy: -15.747
tors. eta vs tors. theta energy: -27.739
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 182
Temperature: 0.950000
Total energy: -309.129527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.129527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.129527 (E_RNA)
where:
Base-Base interactions energy: -207.739
where: short stacking energy: -95.905
Base-Backbone interact. energy: 0.086
local terms energy: -101.476845
where:
bonds (distance) C4'-P energy: -17.913
bonds (distance) P-C4' energy: -21.309
flat angles C4'-P-C4' energy: -23.171
flat angles P-C4'-P energy: -11.644
tors. eta vs tors. theta energy: -27.439
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 182
Temperature: 1.000000
Total energy: -315.741868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.741868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.741868 (E_RNA)
where:
Base-Base interactions energy: -212.038
where: short stacking energy: -106.455
Base-Backbone interact. energy: -0.096
local terms energy: -103.607454
where:
bonds (distance) C4'-P energy: -20.366
bonds (distance) P-C4' energy: -20.535
flat angles C4'-P-C4' energy: -21.939
flat angles P-C4'-P energy: -11.420
tors. eta vs tors. theta energy: -29.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 182
Temperature: 1.050000
Total energy: -248.301545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.301545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.301545 (E_RNA)
where:
Base-Base interactions energy: -162.852
where: short stacking energy: -79.200
Base-Backbone interact. energy: 0.372
local terms energy: -85.822015
where:
bonds (distance) C4'-P energy: -20.030
bonds (distance) P-C4' energy: -18.821
flat angles C4'-P-C4' energy: -18.707
flat angles P-C4'-P energy: -11.290
tors. eta vs tors. theta energy: -16.974
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 182
Temperature: 1.100000
Total energy: -245.195783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.195783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.195783 (E_RNA)
where:
Base-Base interactions energy: -162.786
where: short stacking energy: -87.685
Base-Backbone interact. energy: -0.257
local terms energy: -82.152693
where:
bonds (distance) C4'-P energy: -18.763
bonds (distance) P-C4' energy: -18.212
flat angles C4'-P-C4' energy: -15.125
flat angles P-C4'-P energy: -11.095
tors. eta vs tors. theta energy: -18.957
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 182
Temperature: 1.150000
Total energy: -239.978380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.978380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.978380 (E_RNA)
where:
Base-Base interactions energy: -156.762
where: short stacking energy: -74.601
Base-Backbone interact. energy: -0.443
local terms energy: -82.773235
where:
bonds (distance) C4'-P energy: -22.129
bonds (distance) P-C4' energy: -18.092
flat angles C4'-P-C4' energy: -16.974
flat angles P-C4'-P energy: -12.960
tors. eta vs tors. theta energy: -12.619
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 182
Temperature: 1.200000
Total energy: -219.090023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.090023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.090023 (E_RNA)
where:
Base-Base interactions energy: -144.222
where: short stacking energy: -72.698
Base-Backbone interact. energy: -0.096
local terms energy: -74.771393
where:
bonds (distance) C4'-P energy: -12.828
bonds (distance) P-C4' energy: -14.979
flat angles C4'-P-C4' energy: -20.642
flat angles P-C4'-P energy: -8.826
tors. eta vs tors. theta energy: -17.498
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 182
Temperature: 1.250000
Total energy: -242.579194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.579194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.579194 (E_RNA)
where:
Base-Base interactions energy: -170.195
where: short stacking energy: -76.603
Base-Backbone interact. energy: 0.195
local terms energy: -72.579159
where:
bonds (distance) C4'-P energy: -11.082
bonds (distance) P-C4' energy: -12.358
flat angles C4'-P-C4' energy: -16.077
flat angles P-C4'-P energy: -14.044
tors. eta vs tors. theta energy: -19.018
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 182
Temperature: 1.300000
Total energy: -172.987395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.987395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.987395 (E_RNA)
where:
Base-Base interactions energy: -99.011
where: short stacking energy: -46.453
Base-Backbone interact. energy: -0.603
local terms energy: -73.373295
where:
bonds (distance) C4'-P energy: -19.605
bonds (distance) P-C4' energy: -23.338
flat angles C4'-P-C4' energy: -14.945
flat angles P-C4'-P energy: -9.456
tors. eta vs tors. theta energy: -6.029
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 182
Temperature: 1.350000
Total energy: -104.269805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.269805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.269805 (E_RNA)
where:
Base-Base interactions energy: -49.723
where: short stacking energy: -27.603
Base-Backbone interact. energy: -0.613
local terms energy: -53.934112
where:
bonds (distance) C4'-P energy: -16.862
bonds (distance) P-C4' energy: -16.523
flat angles C4'-P-C4' energy: -10.115
flat angles P-C4'-P energy: -6.710
tors. eta vs tors. theta energy: -3.724
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 183
Temperature: 0.900000
Total energy: -343.703431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.703431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.703431 (E_RNA)
where:
Base-Base interactions energy: -237.806
where: short stacking energy: -97.843
Base-Backbone interact. energy: -0.421
local terms energy: -105.477002
where:
bonds (distance) C4'-P energy: -19.820
bonds (distance) P-C4' energy: -21.884
flat angles C4'-P-C4' energy: -22.043
flat angles P-C4'-P energy: -17.356
tors. eta vs tors. theta energy: -24.375
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 183
Temperature: 0.950000
Total energy: -310.281630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.281630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.281630 (E_RNA)
where:
Base-Base interactions energy: -215.378
where: short stacking energy: -88.400
Base-Backbone interact. energy: -0.801
local terms energy: -94.103304
where:
bonds (distance) C4'-P energy: -21.880
bonds (distance) P-C4' energy: -19.255
flat angles C4'-P-C4' energy: -18.527
flat angles P-C4'-P energy: -6.865
tors. eta vs tors. theta energy: -27.577
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 183
Temperature: 1.000000
Total energy: -296.077409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.077409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.077409 (E_RNA)
where:
Base-Base interactions energy: -202.374
where: short stacking energy: -96.283
Base-Backbone interact. energy: -0.605
local terms energy: -93.098034
where:
bonds (distance) C4'-P energy: -19.865
bonds (distance) P-C4' energy: -15.503
flat angles C4'-P-C4' energy: -19.571
flat angles P-C4'-P energy: -11.719
tors. eta vs tors. theta energy: -26.439
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 183
Temperature: 1.050000
Total energy: -262.656230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.656230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.656230 (E_RNA)
where:
Base-Base interactions energy: -174.813
where: short stacking energy: -76.806
Base-Backbone interact. energy: 0.014
local terms energy: -87.857229
where:
bonds (distance) C4'-P energy: -16.722
bonds (distance) P-C4' energy: -21.921
flat angles C4'-P-C4' energy: -18.579
flat angles P-C4'-P energy: -8.031
tors. eta vs tors. theta energy: -22.605
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 183
Temperature: 1.100000
Total energy: -241.648593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.648593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.648593 (E_RNA)
where:
Base-Base interactions energy: -152.611
where: short stacking energy: -79.454
Base-Backbone interact. energy: -0.432
local terms energy: -88.606200
where:
bonds (distance) C4'-P energy: -11.478
bonds (distance) P-C4' energy: -20.634
flat angles C4'-P-C4' energy: -19.933
flat angles P-C4'-P energy: -14.492
tors. eta vs tors. theta energy: -22.068
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 183
Temperature: 1.150000
Total energy: -254.501175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.501175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.501175 (E_RNA)
where:
Base-Base interactions energy: -176.571
where: short stacking energy: -65.925
Base-Backbone interact. energy: -0.393
local terms energy: -77.536648
where:
bonds (distance) C4'-P energy: -14.507
bonds (distance) P-C4' energy: -23.595
flat angles C4'-P-C4' energy: -17.151
flat angles P-C4'-P energy: -9.133
tors. eta vs tors. theta energy: -13.151
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 183
Temperature: 1.200000
Total energy: -240.395268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.395268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.395268 (E_RNA)
where:
Base-Base interactions energy: -153.271
where: short stacking energy: -82.556
Base-Backbone interact. energy: -0.979
local terms energy: -86.145664
where:
bonds (distance) C4'-P energy: -16.283
bonds (distance) P-C4' energy: -19.560
flat angles C4'-P-C4' energy: -17.099
flat angles P-C4'-P energy: -12.957
tors. eta vs tors. theta energy: -20.246
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 183
Temperature: 1.250000
Total energy: -258.967375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.967375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.967375 (E_RNA)
where:
Base-Base interactions energy: -188.036
where: short stacking energy: -77.452
Base-Backbone interact. energy: -0.341
local terms energy: -70.590490
where:
bonds (distance) C4'-P energy: -13.830
bonds (distance) P-C4' energy: -15.003
flat angles C4'-P-C4' energy: -15.537
flat angles P-C4'-P energy: -11.049
tors. eta vs tors. theta energy: -15.171
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 183
Temperature: 1.300000
Total energy: -162.882642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.882642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.882642 (E_RNA)
where:
Base-Base interactions energy: -88.191
where: short stacking energy: -47.568
Base-Backbone interact. energy: -0.250
local terms energy: -74.440928
where:
bonds (distance) C4'-P energy: -14.553
bonds (distance) P-C4' energy: -23.730
flat angles C4'-P-C4' energy: -17.023
flat angles P-C4'-P energy: -10.837
tors. eta vs tors. theta energy: -8.298
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 183
Temperature: 1.350000
Total energy: -110.368885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.368885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.368885 (E_RNA)
where:
Base-Base interactions energy: -46.177
where: short stacking energy: -37.346
Base-Backbone interact. energy: 0.212
local terms energy: -64.403439
where:
bonds (distance) C4'-P energy: -11.674
bonds (distance) P-C4' energy: -16.478
flat angles C4'-P-C4' energy: -17.121
flat angles P-C4'-P energy: -10.195
tors. eta vs tors. theta energy: -8.936
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 184
Temperature: 0.900000
Total energy: -347.996697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.996697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.996697 (E_RNA)
where:
Base-Base interactions energy: -254.574
where: short stacking energy: -107.952
Base-Backbone interact. energy: -0.277
local terms energy: -93.145805
where:
bonds (distance) C4'-P energy: -19.762
bonds (distance) P-C4' energy: -17.201
flat angles C4'-P-C4' energy: -18.920
flat angles P-C4'-P energy: -12.274
tors. eta vs tors. theta energy: -24.990
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 184
Temperature: 0.950000
Total energy: -306.938902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.938902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.938902 (E_RNA)
where:
Base-Base interactions energy: -217.233
where: short stacking energy: -89.898
Base-Backbone interact. energy: -1.128
local terms energy: -88.578651
where:
bonds (distance) C4'-P energy: -14.014
bonds (distance) P-C4' energy: -17.412
flat angles C4'-P-C4' energy: -17.300
flat angles P-C4'-P energy: -13.377
tors. eta vs tors. theta energy: -26.475
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 184
Temperature: 1.000000
Total energy: -299.168685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.168685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.168685 (E_RNA)
where:
Base-Base interactions energy: -205.261
where: short stacking energy: -87.757
Base-Backbone interact. energy: -0.238
local terms energy: -93.669505
where:
bonds (distance) C4'-P energy: -22.228
bonds (distance) P-C4' energy: -18.959
flat angles C4'-P-C4' energy: -19.848
flat angles P-C4'-P energy: -11.470
tors. eta vs tors. theta energy: -21.165
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 184
Temperature: 1.050000
Total energy: -295.130085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.130085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.130085 (E_RNA)
where:
Base-Base interactions energy: -199.120
where: short stacking energy: -88.340
Base-Backbone interact. energy: -0.342
local terms energy: -95.668257
where:
bonds (distance) C4'-P energy: -20.017
bonds (distance) P-C4' energy: -16.490
flat angles C4'-P-C4' energy: -19.935
flat angles P-C4'-P energy: -13.355
tors. eta vs tors. theta energy: -25.871
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 184
Temperature: 1.100000
Total energy: -246.945994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.945994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.945994 (E_RNA)
where:
Base-Base interactions energy: -162.234
where: short stacking energy: -69.237
Base-Backbone interact. energy: 0.679
local terms energy: -85.390731
where:
bonds (distance) C4'-P energy: -20.185
bonds (distance) P-C4' energy: -18.214
flat angles C4'-P-C4' energy: -21.762
flat angles P-C4'-P energy: -10.631
tors. eta vs tors. theta energy: -14.598
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 184
Temperature: 1.150000
Total energy: -214.517004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.517004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.517004 (E_RNA)
where:
Base-Base interactions energy: -126.222
where: short stacking energy: -66.211
Base-Backbone interact. energy: -0.016
local terms energy: -88.278737
where:
bonds (distance) C4'-P energy: -21.050
bonds (distance) P-C4' energy: -21.878
flat angles C4'-P-C4' energy: -17.825
flat angles P-C4'-P energy: -9.728
tors. eta vs tors. theta energy: -17.797
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 184
Temperature: 1.200000
Total energy: -255.725127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.725127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.725127 (E_RNA)
where:
Base-Base interactions energy: -176.595
where: short stacking energy: -74.655
Base-Backbone interact. energy: -0.622
local terms energy: -78.507591
where:
bonds (distance) C4'-P energy: -17.293
bonds (distance) P-C4' energy: -16.096
flat angles C4'-P-C4' energy: -16.505
flat angles P-C4'-P energy: -10.801
tors. eta vs tors. theta energy: -17.813
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 184
Temperature: 1.250000
Total energy: -219.520323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.520323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.520323 (E_RNA)
where:
Base-Base interactions energy: -138.010
where: short stacking energy: -59.813
Base-Backbone interact. energy: -1.293
local terms energy: -80.217565
where:
bonds (distance) C4'-P energy: -14.909
bonds (distance) P-C4' energy: -17.904
flat angles C4'-P-C4' energy: -17.071
flat angles P-C4'-P energy: -7.259
tors. eta vs tors. theta energy: -23.075
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 184
Temperature: 1.300000
Total energy: -123.577836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.577836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.577836 (E_RNA)
where:
Base-Base interactions energy: -55.916
where: short stacking energy: -36.432
Base-Backbone interact. energy: -0.036
local terms energy: -67.625683
where:
bonds (distance) C4'-P energy: -19.664
bonds (distance) P-C4' energy: -15.797
flat angles C4'-P-C4' energy: -7.627
flat angles P-C4'-P energy: -14.918
tors. eta vs tors. theta energy: -9.619
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 184
Temperature: 1.350000
Total energy: -118.083451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.083451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.083451 (E_RNA)
where:
Base-Base interactions energy: -61.952
where: short stacking energy: -36.299
Base-Backbone interact. energy: 0.145
local terms energy: -56.275965
where:
bonds (distance) C4'-P energy: -17.993
bonds (distance) P-C4' energy: -10.320
flat angles C4'-P-C4' energy: -15.583
flat angles P-C4'-P energy: -11.284
tors. eta vs tors. theta energy: -1.096
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 185
Temperature: 0.900000
Total energy: -345.096781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.096781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.096781 (E_RNA)
where:
Base-Base interactions energy: -244.488
where: short stacking energy: -91.334
Base-Backbone interact. energy: -0.474
local terms energy: -100.134351
where:
bonds (distance) C4'-P energy: -19.837
bonds (distance) P-C4' energy: -23.690
flat angles C4'-P-C4' energy: -20.993
flat angles P-C4'-P energy: -14.377
tors. eta vs tors. theta energy: -21.237
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 185
Temperature: 0.950000
Total energy: -299.793361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.793361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.793361 (E_RNA)
where:
Base-Base interactions energy: -196.117
where: short stacking energy: -102.684
Base-Backbone interact. energy: -0.860
local terms energy: -102.816020
where:
bonds (distance) C4'-P energy: -19.266
bonds (distance) P-C4' energy: -20.563
flat angles C4'-P-C4' energy: -19.647
flat angles P-C4'-P energy: -15.017
tors. eta vs tors. theta energy: -28.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 185
Temperature: 1.000000
Total energy: -281.747552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.747552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.747552 (E_RNA)
where:
Base-Base interactions energy: -188.571
where: short stacking energy: -92.720
Base-Backbone interact. energy: -0.083
local terms energy: -93.093967
where:
bonds (distance) C4'-P energy: -18.042
bonds (distance) P-C4' energy: -19.027
flat angles C4'-P-C4' energy: -20.290
flat angles P-C4'-P energy: -12.420
tors. eta vs tors. theta energy: -23.316
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 185
Temperature: 1.050000
Total energy: -292.660725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.660725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.660725 (E_RNA)
where:
Base-Base interactions energy: -197.200
where: short stacking energy: -86.887
Base-Backbone interact. energy: -0.130
local terms energy: -95.330625
where:
bonds (distance) C4'-P energy: -10.864
bonds (distance) P-C4' energy: -22.237
flat angles C4'-P-C4' energy: -22.612
flat angles P-C4'-P energy: -17.930
tors. eta vs tors. theta energy: -21.688
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 185
Temperature: 1.100000
Total energy: -242.553220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.553220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.553220 (E_RNA)
where:
Base-Base interactions energy: -173.503
where: short stacking energy: -76.014
Base-Backbone interact. energy: -0.131
local terms energy: -68.919160
where:
bonds (distance) C4'-P energy: -14.044
bonds (distance) P-C4' energy: -12.375
flat angles C4'-P-C4' energy: -15.045
flat angles P-C4'-P energy: -12.785
tors. eta vs tors. theta energy: -14.671
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 185
Temperature: 1.150000
Total energy: -253.088507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.088507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.088507 (E_RNA)
where:
Base-Base interactions energy: -167.234
where: short stacking energy: -70.268
Base-Backbone interact. energy: -0.059
local terms energy: -85.796179
where:
bonds (distance) C4'-P energy: -19.015
bonds (distance) P-C4' energy: -21.083
flat angles C4'-P-C4' energy: -10.954
flat angles P-C4'-P energy: -16.520
tors. eta vs tors. theta energy: -18.224
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 185
Temperature: 1.200000
Total energy: -225.612898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.612898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.612898 (E_RNA)
where:
Base-Base interactions energy: -131.954
where: short stacking energy: -67.994
Base-Backbone interact. energy: -0.211
local terms energy: -93.448273
where:
bonds (distance) C4'-P energy: -20.965
bonds (distance) P-C4' energy: -18.143
flat angles C4'-P-C4' energy: -21.720
flat angles P-C4'-P energy: -13.720
tors. eta vs tors. theta energy: -18.900
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 185
Temperature: 1.250000
Total energy: -214.664199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.664199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.664199 (E_RNA)
where:
Base-Base interactions energy: -142.003
where: short stacking energy: -63.763
Base-Backbone interact. energy: -0.468
local terms energy: -72.193913
where:
bonds (distance) C4'-P energy: -13.328
bonds (distance) P-C4' energy: -17.009
flat angles C4'-P-C4' energy: -15.761
flat angles P-C4'-P energy: -12.469
tors. eta vs tors. theta energy: -13.627
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 185
Temperature: 1.300000
Total energy: -116.526495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.526495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.526495 (E_RNA)
where:
Base-Base interactions energy: -52.790
where: short stacking energy: -31.164
Base-Backbone interact. energy: 1.937
local terms energy: -65.673870
where:
bonds (distance) C4'-P energy: -14.166
bonds (distance) P-C4' energy: -18.379
flat angles C4'-P-C4' energy: -20.504
flat angles P-C4'-P energy: -6.429
tors. eta vs tors. theta energy: -6.196
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 185
Temperature: 1.350000
Total energy: -111.132673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.132673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.132673 (E_RNA)
where:
Base-Base interactions energy: -56.919
where: short stacking energy: -39.320
Base-Backbone interact. energy: 0.140
local terms energy: -54.353665
where:
bonds (distance) C4'-P energy: -15.617
bonds (distance) P-C4' energy: -11.801
flat angles C4'-P-C4' energy: -14.302
flat angles P-C4'-P energy: -12.801
tors. eta vs tors. theta energy: 0.168
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 186
Temperature: 0.900000
Total energy: -353.671338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.671338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.671338 (E_RNA)
where:
Base-Base interactions energy: -255.485
where: short stacking energy: -95.245
Base-Backbone interact. energy: -0.167
local terms energy: -98.019488
where:
bonds (distance) C4'-P energy: -18.597
bonds (distance) P-C4' energy: -19.055
flat angles C4'-P-C4' energy: -21.350
flat angles P-C4'-P energy: -14.966
tors. eta vs tors. theta energy: -24.052
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 186
Temperature: 0.950000
Total energy: -311.463613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.463613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.463613 (E_RNA)
where:
Base-Base interactions energy: -213.654
where: short stacking energy: -88.102
Base-Backbone interact. energy: -0.642
local terms energy: -97.167595
where:
bonds (distance) C4'-P energy: -21.615
bonds (distance) P-C4' energy: -18.434
flat angles C4'-P-C4' energy: -16.677
flat angles P-C4'-P energy: -16.679
tors. eta vs tors. theta energy: -23.762
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 186
Temperature: 1.000000
Total energy: -288.007871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.007871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.007871 (E_RNA)
where:
Base-Base interactions energy: -193.796
where: short stacking energy: -84.928
Base-Backbone interact. energy: -0.453
local terms energy: -93.758263
where:
bonds (distance) C4'-P energy: -16.496
bonds (distance) P-C4' energy: -20.858
flat angles C4'-P-C4' energy: -16.551
flat angles P-C4'-P energy: -12.502
tors. eta vs tors. theta energy: -27.351
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 186
Temperature: 1.050000
Total energy: -292.084830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.084830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.084830 (E_RNA)
where:
Base-Base interactions energy: -203.221
where: short stacking energy: -84.666
Base-Backbone interact. energy: -0.089
local terms energy: -88.774016
where:
bonds (distance) C4'-P energy: -16.769
bonds (distance) P-C4' energy: -19.309
flat angles C4'-P-C4' energy: -19.514
flat angles P-C4'-P energy: -13.589
tors. eta vs tors. theta energy: -19.594
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 186
Temperature: 1.100000
Total energy: -280.589580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.589580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.589580 (E_RNA)
where:
Base-Base interactions energy: -188.804
where: short stacking energy: -91.493
Base-Backbone interact. energy: 0.261
local terms energy: -92.047038
where:
bonds (distance) C4'-P energy: -17.037
bonds (distance) P-C4' energy: -18.237
flat angles C4'-P-C4' energy: -19.891
flat angles P-C4'-P energy: -15.336
tors. eta vs tors. theta energy: -21.546
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 186
Temperature: 1.150000
Total energy: -233.400805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.400805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.400805 (E_RNA)
where:
Base-Base interactions energy: -153.832
where: short stacking energy: -68.269
Base-Backbone interact. energy: -0.304
local terms energy: -79.265622
where:
bonds (distance) C4'-P energy: -17.775
bonds (distance) P-C4' energy: -16.775
flat angles C4'-P-C4' energy: -15.061
flat angles P-C4'-P energy: -13.600
tors. eta vs tors. theta energy: -16.055
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 186
Temperature: 1.200000
Total energy: -225.456317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.456317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.456317 (E_RNA)
where:
Base-Base interactions energy: -155.242
where: short stacking energy: -62.365
Base-Backbone interact. energy: -0.587
local terms energy: -69.627241
where:
bonds (distance) C4'-P energy: -18.706
bonds (distance) P-C4' energy: -17.687
flat angles C4'-P-C4' energy: -8.354
flat angles P-C4'-P energy: -12.280
tors. eta vs tors. theta energy: -12.602
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 186
Temperature: 1.250000
Total energy: -214.151992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.151992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.151992 (E_RNA)
where:
Base-Base interactions energy: -131.325
where: short stacking energy: -67.358
Base-Backbone interact. energy: -0.926
local terms energy: -81.901003
where:
bonds (distance) C4'-P energy: -19.324
bonds (distance) P-C4' energy: -14.459
flat angles C4'-P-C4' energy: -21.035
flat angles P-C4'-P energy: -9.753
tors. eta vs tors. theta energy: -17.330
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 186
Temperature: 1.300000
Total energy: -110.517123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.517123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.517123 (E_RNA)
where:
Base-Base interactions energy: -49.760
where: short stacking energy: -49.760
Base-Backbone interact. energy: -0.400
local terms energy: -60.356822
where:
bonds (distance) C4'-P energy: -12.541
bonds (distance) P-C4' energy: -17.083
flat angles C4'-P-C4' energy: -15.484
flat angles P-C4'-P energy: -7.724
tors. eta vs tors. theta energy: -7.525
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 186
Temperature: 1.350000
Total energy: -98.501485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.501485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.501485 (E_RNA)
where:
Base-Base interactions energy: -46.853
where: short stacking energy: -25.304
Base-Backbone interact. energy: -0.887
local terms energy: -50.761336
where:
bonds (distance) C4'-P energy: -13.257
bonds (distance) P-C4' energy: -17.012
flat angles C4'-P-C4' energy: -16.819
flat angles P-C4'-P energy: -7.068
tors. eta vs tors. theta energy: 3.396
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 187
Temperature: 0.900000
Total energy: -351.040871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.040871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.040871 (E_RNA)
where:
Base-Base interactions energy: -252.844
where: short stacking energy: -96.867
Base-Backbone interact. energy: 0.433
local terms energy: -98.629723
where:
bonds (distance) C4'-P energy: -19.874
bonds (distance) P-C4' energy: -20.513
flat angles C4'-P-C4' energy: -18.680
flat angles P-C4'-P energy: -14.498
tors. eta vs tors. theta energy: -25.065
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 187
Temperature: 0.950000
Total energy: -312.178646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.178646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.178646 (E_RNA)
where:
Base-Base interactions energy: -211.318
where: short stacking energy: -95.718
Base-Backbone interact. energy: -0.541
local terms energy: -100.319398
where:
bonds (distance) C4'-P energy: -18.806
bonds (distance) P-C4' energy: -19.030
flat angles C4'-P-C4' energy: -20.985
flat angles P-C4'-P energy: -14.635
tors. eta vs tors. theta energy: -26.862
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 187
Temperature: 1.000000
Total energy: -294.386921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.386921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.386921 (E_RNA)
where:
Base-Base interactions energy: -204.913
where: short stacking energy: -94.806
Base-Backbone interact. energy: -0.028
local terms energy: -89.445534
where:
bonds (distance) C4'-P energy: -15.849
bonds (distance) P-C4' energy: -19.759
flat angles C4'-P-C4' energy: -20.151
flat angles P-C4'-P energy: -10.288
tors. eta vs tors. theta energy: -23.398
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 187
Temperature: 1.050000
Total energy: -304.185072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.185072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.185072 (E_RNA)
where:
Base-Base interactions energy: -201.981
where: short stacking energy: -103.953
Base-Backbone interact. energy: -0.223
local terms energy: -101.981023
where:
bonds (distance) C4'-P energy: -19.210
bonds (distance) P-C4' energy: -23.000
flat angles C4'-P-C4' energy: -22.629
flat angles P-C4'-P energy: -8.035
tors. eta vs tors. theta energy: -29.107
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 187
Temperature: 1.100000
Total energy: -284.026401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.026401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.026401 (E_RNA)
where:
Base-Base interactions energy: -186.817
where: short stacking energy: -91.052
Base-Backbone interact. energy: 0.019
local terms energy: -97.228473
where:
bonds (distance) C4'-P energy: -17.186
bonds (distance) P-C4' energy: -19.406
flat angles C4'-P-C4' energy: -20.343
flat angles P-C4'-P energy: -15.137
tors. eta vs tors. theta energy: -25.156
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 187
Temperature: 1.150000
Total energy: -245.730123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.730123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.730123 (E_RNA)
where:
Base-Base interactions energy: -152.830
where: short stacking energy: -77.263
Base-Backbone interact. energy: -0.670
local terms energy: -92.229527
where:
bonds (distance) C4'-P energy: -19.206
bonds (distance) P-C4' energy: -22.148
flat angles C4'-P-C4' energy: -19.588
flat angles P-C4'-P energy: -10.311
tors. eta vs tors. theta energy: -20.977
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 187
Temperature: 1.200000
Total energy: -205.880885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.880885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.880885 (E_RNA)
where:
Base-Base interactions energy: -133.632
where: short stacking energy: -63.930
Base-Backbone interact. energy: -0.504
local terms energy: -71.744443
where:
bonds (distance) C4'-P energy: -21.757
bonds (distance) P-C4' energy: -15.215
flat angles C4'-P-C4' energy: -10.200
flat angles P-C4'-P energy: -13.774
tors. eta vs tors. theta energy: -10.799
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 187
Temperature: 1.250000
Total energy: -221.771489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.771489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.771489 (E_RNA)
where:
Base-Base interactions energy: -134.977
where: short stacking energy: -73.391
Base-Backbone interact. energy: -0.574
local terms energy: -86.220855
where:
bonds (distance) C4'-P energy: -16.088
bonds (distance) P-C4' energy: -19.584
flat angles C4'-P-C4' energy: -20.288
flat angles P-C4'-P energy: -16.880
tors. eta vs tors. theta energy: -13.381
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 187
Temperature: 1.300000
Total energy: -109.346127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.346127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.346127 (E_RNA)
where:
Base-Base interactions energy: -48.967
where: short stacking energy: -48.967
Base-Backbone interact. energy: -0.031
local terms energy: -60.348621
where:
bonds (distance) C4'-P energy: -17.319
bonds (distance) P-C4' energy: -20.261
flat angles C4'-P-C4' energy: -7.835
flat angles P-C4'-P energy: -5.185
tors. eta vs tors. theta energy: -9.749
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 187
Temperature: 1.350000
Total energy: -108.782940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.782940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.782940 (E_RNA)
where:
Base-Base interactions energy: -50.220
where: short stacking energy: -51.020
Base-Backbone interact. energy: -0.341
local terms energy: -58.221956
where:
bonds (distance) C4'-P energy: -12.223
bonds (distance) P-C4' energy: -15.892
flat angles C4'-P-C4' energy: -8.882
flat angles P-C4'-P energy: -14.638
tors. eta vs tors. theta energy: -6.587
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 188
Temperature: 0.900000
Total energy: -349.310001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.310001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.310001 (E_RNA)
where:
Base-Base interactions energy: -255.623
where: short stacking energy: -98.371
Base-Backbone interact. energy: 0.774
local terms energy: -94.460747
where:
bonds (distance) C4'-P energy: -19.599
bonds (distance) P-C4' energy: -19.002
flat angles C4'-P-C4' energy: -13.711
flat angles P-C4'-P energy: -15.365
tors. eta vs tors. theta energy: -26.785
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 188
Temperature: 0.950000
Total energy: -305.668324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.668324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.668324 (E_RNA)
where:
Base-Base interactions energy: -208.310
where: short stacking energy: -91.879
Base-Backbone interact. energy: -0.912
local terms energy: -96.446295
where:
bonds (distance) C4'-P energy: -16.158
bonds (distance) P-C4' energy: -19.886
flat angles C4'-P-C4' energy: -18.570
flat angles P-C4'-P energy: -16.644
tors. eta vs tors. theta energy: -25.189
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 188
Temperature: 1.000000
Total energy: -272.342376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.342376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.342376 (E_RNA)
where:
Base-Base interactions energy: -185.996
where: short stacking energy: -81.901
Base-Backbone interact. energy: -0.018
local terms energy: -86.328210
where:
bonds (distance) C4'-P energy: -19.654
bonds (distance) P-C4' energy: -19.767
flat angles C4'-P-C4' energy: -14.814
flat angles P-C4'-P energy: -8.270
tors. eta vs tors. theta energy: -23.824
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 188
Temperature: 1.050000
Total energy: -266.904997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.904997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.904997 (E_RNA)
where:
Base-Base interactions energy: -168.170
where: short stacking energy: -78.238
Base-Backbone interact. energy: -0.887
local terms energy: -97.848700
where:
bonds (distance) C4'-P energy: -17.995
bonds (distance) P-C4' energy: -20.922
flat angles C4'-P-C4' energy: -21.473
flat angles P-C4'-P energy: -15.867
tors. eta vs tors. theta energy: -21.592
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 188
Temperature: 1.100000
Total energy: -261.346215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.346215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.346215 (E_RNA)
where:
Base-Base interactions energy: -173.916
where: short stacking energy: -67.899
Base-Backbone interact. energy: -2.116
local terms energy: -85.314592
where:
bonds (distance) C4'-P energy: -19.447
bonds (distance) P-C4' energy: -21.276
flat angles C4'-P-C4' energy: -16.672
flat angles P-C4'-P energy: -11.755
tors. eta vs tors. theta energy: -16.165
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 188
Temperature: 1.150000
Total energy: -250.817408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.817408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.817408 (E_RNA)
where:
Base-Base interactions energy: -167.971
where: short stacking energy: -74.254
Base-Backbone interact. energy: -0.006
local terms energy: -82.840718
where:
bonds (distance) C4'-P energy: -15.071
bonds (distance) P-C4' energy: -17.991
flat angles C4'-P-C4' energy: -19.653
flat angles P-C4'-P energy: -11.986
tors. eta vs tors. theta energy: -18.140
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 188
Temperature: 1.200000
Total energy: -223.086721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.086721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.086721 (E_RNA)
where:
Base-Base interactions energy: -147.232
where: short stacking energy: -71.926
Base-Backbone interact. energy: -0.201
local terms energy: -75.654298
where:
bonds (distance) C4'-P energy: -19.646
bonds (distance) P-C4' energy: -18.658
flat angles C4'-P-C4' energy: -10.579
flat angles P-C4'-P energy: -9.960
tors. eta vs tors. theta energy: -16.810
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 188
Temperature: 1.250000
Total energy: -206.632847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.632847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.632847 (E_RNA)
where:
Base-Base interactions energy: -127.515
where: short stacking energy: -62.003
Base-Backbone interact. energy: -0.283
local terms energy: -78.835019
where:
bonds (distance) C4'-P energy: -18.561
bonds (distance) P-C4' energy: -18.375
flat angles C4'-P-C4' energy: -15.085
flat angles P-C4'-P energy: -10.078
tors. eta vs tors. theta energy: -16.736
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 188
Temperature: 1.300000
Total energy: -115.038070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.038070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.038070 (E_RNA)
where:
Base-Base interactions energy: -49.697
where: short stacking energy: -49.555
Base-Backbone interact. energy: -0.110
local terms energy: -65.231046
where:
bonds (distance) C4'-P energy: -12.211
bonds (distance) P-C4' energy: -15.661
flat angles C4'-P-C4' energy: -18.445
flat angles P-C4'-P energy: -9.918
tors. eta vs tors. theta energy: -8.996
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 188
Temperature: 1.350000
Total energy: -101.770160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.770160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.770160 (E_RNA)
where:
Base-Base interactions energy: -35.832
where: short stacking energy: -29.890
Base-Backbone interact. energy: -0.907
local terms energy: -65.030940
where:
bonds (distance) C4'-P energy: -19.686
bonds (distance) P-C4' energy: -21.168
flat angles C4'-P-C4' energy: -14.220
flat angles P-C4'-P energy: -8.760
tors. eta vs tors. theta energy: -1.196
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 189
Temperature: 0.900000
Total energy: -352.386319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.386319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.386319 (E_RNA)
where:
Base-Base interactions energy: -254.351
where: short stacking energy: -101.657
Base-Backbone interact. energy: -0.339
local terms energy: -97.695856
where:
bonds (distance) C4'-P energy: -19.194
bonds (distance) P-C4' energy: -18.035
flat angles C4'-P-C4' energy: -19.685
flat angles P-C4'-P energy: -16.358
tors. eta vs tors. theta energy: -24.424
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 189
Temperature: 0.950000
Total energy: -299.042238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.042238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.042238 (E_RNA)
where:
Base-Base interactions energy: -206.240
where: short stacking energy: -84.743
Base-Backbone interact. energy: -0.444
local terms energy: -92.358151
where:
bonds (distance) C4'-P energy: -19.364
bonds (distance) P-C4' energy: -17.304
flat angles C4'-P-C4' energy: -20.987
flat angles P-C4'-P energy: -12.529
tors. eta vs tors. theta energy: -22.174
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 189
Temperature: 1.000000
Total energy: -281.827521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.827521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.827521 (E_RNA)
where:
Base-Base interactions energy: -196.909
where: short stacking energy: -83.210
Base-Backbone interact. energy: 1.924
local terms energy: -86.843005
where:
bonds (distance) C4'-P energy: -16.685
bonds (distance) P-C4' energy: -17.504
flat angles C4'-P-C4' energy: -20.736
flat angles P-C4'-P energy: -10.402
tors. eta vs tors. theta energy: -21.516
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 189
Temperature: 1.050000
Total energy: -278.858246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.858246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.858246 (E_RNA)
where:
Base-Base interactions energy: -185.112
where: short stacking energy: -85.096
Base-Backbone interact. energy: -0.768
local terms energy: -92.978190
where:
bonds (distance) C4'-P energy: -19.578
bonds (distance) P-C4' energy: -16.537
flat angles C4'-P-C4' energy: -21.234
flat angles P-C4'-P energy: -13.617
tors. eta vs tors. theta energy: -22.013
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 189
Temperature: 1.100000
Total energy: -254.599878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.599878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.599878 (E_RNA)
where:
Base-Base interactions energy: -177.675
where: short stacking energy: -72.747
Base-Backbone interact. energy: -1.395
local terms energy: -75.529439
where:
bonds (distance) C4'-P energy: -17.713
bonds (distance) P-C4' energy: -14.944
flat angles C4'-P-C4' energy: -19.203
flat angles P-C4'-P energy: -10.872
tors. eta vs tors. theta energy: -12.797
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 189
Temperature: 1.150000
Total energy: -211.338863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.338863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.338863 (E_RNA)
where:
Base-Base interactions energy: -143.631
where: short stacking energy: -62.936
Base-Backbone interact. energy: -0.322
local terms energy: -67.385920
where:
bonds (distance) C4'-P energy: -15.029
bonds (distance) P-C4' energy: -17.425
flat angles C4'-P-C4' energy: -15.172
flat angles P-C4'-P energy: -10.032
tors. eta vs tors. theta energy: -9.728
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 189
Temperature: 1.200000
Total energy: -265.260020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.260020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.260020 (E_RNA)
where:
Base-Base interactions energy: -178.675
where: short stacking energy: -82.852
Base-Backbone interact. energy: -0.619
local terms energy: -85.966171
where:
bonds (distance) C4'-P energy: -13.937
bonds (distance) P-C4' energy: -16.261
flat angles C4'-P-C4' energy: -21.748
flat angles P-C4'-P energy: -10.229
tors. eta vs tors. theta energy: -23.791
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 189
Temperature: 1.250000
Total energy: -203.072921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.072921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.072921 (E_RNA)
where:
Base-Base interactions energy: -133.949
where: short stacking energy: -56.544
Base-Backbone interact. energy: -0.568
local terms energy: -68.555896
where:
bonds (distance) C4'-P energy: -20.694
bonds (distance) P-C4' energy: -19.381
flat angles C4'-P-C4' energy: -14.164
flat angles P-C4'-P energy: -6.956
tors. eta vs tors. theta energy: -7.361
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 189
Temperature: 1.300000
Total energy: -108.747605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.747605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.747605 (E_RNA)
where:
Base-Base interactions energy: -55.211
where: short stacking energy: -36.640
Base-Backbone interact. energy: -0.473
local terms energy: -53.063843
where:
bonds (distance) C4'-P energy: -17.208
bonds (distance) P-C4' energy: -16.673
flat angles C4'-P-C4' energy: -11.104
flat angles P-C4'-P energy: -10.687
tors. eta vs tors. theta energy: 2.607
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 189
Temperature: 1.350000
Total energy: -112.685835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.685835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.685835 (E_RNA)
where:
Base-Base interactions energy: -44.832
where: short stacking energy: -41.978
Base-Backbone interact. energy: -0.183
local terms energy: -67.670211
where:
bonds (distance) C4'-P energy: -17.012
bonds (distance) P-C4' energy: -21.457
flat angles C4'-P-C4' energy: -16.720
flat angles P-C4'-P energy: -8.396
tors. eta vs tors. theta energy: -4.085
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 190
Temperature: 0.900000
Total energy: -351.243881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.243881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.243881 (E_RNA)
where:
Base-Base interactions energy: -250.533
where: short stacking energy: -101.523
Base-Backbone interact. energy: -0.553
local terms energy: -100.157917
where:
bonds (distance) C4'-P energy: -18.991
bonds (distance) P-C4' energy: -17.195
flat angles C4'-P-C4' energy: -23.007
flat angles P-C4'-P energy: -13.666
tors. eta vs tors. theta energy: -27.299
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 190
Temperature: 0.950000
Total energy: -304.252180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.252180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.252180 (E_RNA)
where:
Base-Base interactions energy: -208.641
where: short stacking energy: -88.684
Base-Backbone interact. energy: -1.236
local terms energy: -94.375204
where:
bonds (distance) C4'-P energy: -20.921
bonds (distance) P-C4' energy: -19.929
flat angles C4'-P-C4' energy: -19.581
flat angles P-C4'-P energy: -12.033
tors. eta vs tors. theta energy: -21.911
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 190
Temperature: 1.000000
Total energy: -274.745520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.745520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.745520 (E_RNA)
where:
Base-Base interactions energy: -180.371
where: short stacking energy: -81.780
Base-Backbone interact. energy: -0.425
local terms energy: -93.949686
where:
bonds (distance) C4'-P energy: -22.672
bonds (distance) P-C4' energy: -21.092
flat angles C4'-P-C4' energy: -21.332
flat angles P-C4'-P energy: -8.490
tors. eta vs tors. theta energy: -20.363
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 190
Temperature: 1.050000
Total energy: -288.194006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.194006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.194006 (E_RNA)
where:
Base-Base interactions energy: -200.277
where: short stacking energy: -85.957
Base-Backbone interact. energy: -0.255
local terms energy: -87.661958
where:
bonds (distance) C4'-P energy: -17.780
bonds (distance) P-C4' energy: -21.161
flat angles C4'-P-C4' energy: -18.964
flat angles P-C4'-P energy: -12.751
tors. eta vs tors. theta energy: -17.006
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 190
Temperature: 1.100000
Total energy: -235.622340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.622340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.622340 (E_RNA)
where:
Base-Base interactions energy: -147.404
where: short stacking energy: -77.764
Base-Backbone interact. energy: -0.001
local terms energy: -88.216895
where:
bonds (distance) C4'-P energy: -17.041
bonds (distance) P-C4' energy: -15.720
flat angles C4'-P-C4' energy: -21.040
flat angles P-C4'-P energy: -14.310
tors. eta vs tors. theta energy: -20.106
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 190
Temperature: 1.150000
Total energy: -272.952442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.952442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.952442 (E_RNA)
where:
Base-Base interactions energy: -184.315
where: short stacking energy: -73.256
Base-Backbone interact. energy: -1.192
local terms energy: -87.444845
where:
bonds (distance) C4'-P energy: -21.516
bonds (distance) P-C4' energy: -20.428
flat angles C4'-P-C4' energy: -14.801
flat angles P-C4'-P energy: -13.252
tors. eta vs tors. theta energy: -17.448
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 190
Temperature: 1.200000
Total energy: -235.806725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.806725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.806725 (E_RNA)
where:
Base-Base interactions energy: -146.088
where: short stacking energy: -72.071
Base-Backbone interact. energy: -0.083
local terms energy: -89.635844
where:
bonds (distance) C4'-P energy: -19.849
bonds (distance) P-C4' energy: -16.038
flat angles C4'-P-C4' energy: -19.019
flat angles P-C4'-P energy: -17.229
tors. eta vs tors. theta energy: -17.501
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 190
Temperature: 1.250000
Total energy: -215.652635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.652635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.652635 (E_RNA)
where:
Base-Base interactions energy: -137.890
where: short stacking energy: -63.126
Base-Backbone interact. energy: -0.824
local terms energy: -76.938541
where:
bonds (distance) C4'-P energy: -15.373
bonds (distance) P-C4' energy: -15.548
flat angles C4'-P-C4' energy: -20.952
flat angles P-C4'-P energy: -9.409
tors. eta vs tors. theta energy: -15.657
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 190
Temperature: 1.300000
Total energy: -112.508840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.508840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.508840 (E_RNA)
where:
Base-Base interactions energy: -51.073
where: short stacking energy: -44.614
Base-Backbone interact. energy: -0.188
local terms energy: -61.247900
where:
bonds (distance) C4'-P energy: -17.619
bonds (distance) P-C4' energy: -17.851
flat angles C4'-P-C4' energy: -14.939
flat angles P-C4'-P energy: -6.696
tors. eta vs tors. theta energy: -4.143
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 190
Temperature: 1.350000
Total energy: -103.835237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.835237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.835237 (E_RNA)
where:
Base-Base interactions energy: -48.267
where: short stacking energy: -23.955
Base-Backbone interact. energy: -0.200
local terms energy: -55.368062
where:
bonds (distance) C4'-P energy: -16.301
bonds (distance) P-C4' energy: -17.542
flat angles C4'-P-C4' energy: -13.837
flat angles P-C4'-P energy: -11.052
tors. eta vs tors. theta energy: 3.364
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 191
Temperature: 0.900000
Total energy: -337.884185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.884185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.884185 (E_RNA)
where:
Base-Base interactions energy: -237.899
where: short stacking energy: -93.837
Base-Backbone interact. energy: -0.311
local terms energy: -99.674399
where:
bonds (distance) C4'-P energy: -15.071
bonds (distance) P-C4' energy: -21.872
flat angles C4'-P-C4' energy: -20.320
flat angles P-C4'-P energy: -18.549
tors. eta vs tors. theta energy: -23.863
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 191
Temperature: 0.950000
Total energy: -293.890033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.890033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.890033 (E_RNA)
where:
Base-Base interactions energy: -195.074
where: short stacking energy: -95.037
Base-Backbone interact. energy: -0.719
local terms energy: -98.096761
where:
bonds (distance) C4'-P energy: -16.367
bonds (distance) P-C4' energy: -20.459
flat angles C4'-P-C4' energy: -20.274
flat angles P-C4'-P energy: -17.534
tors. eta vs tors. theta energy: -23.462
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 191
Temperature: 1.000000
Total energy: -280.300640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.300640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.300640 (E_RNA)
where:
Base-Base interactions energy: -189.274
where: short stacking energy: -66.801
Base-Backbone interact. energy: -1.032
local terms energy: -89.995444
where:
bonds (distance) C4'-P energy: -20.340
bonds (distance) P-C4' energy: -20.590
flat angles C4'-P-C4' energy: -21.128
flat angles P-C4'-P energy: -12.417
tors. eta vs tors. theta energy: -15.521
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 191
Temperature: 1.050000
Total energy: -287.521924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.521924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.521924 (E_RNA)
where:
Base-Base interactions energy: -195.968
where: short stacking energy: -86.912
Base-Backbone interact. energy: -0.737
local terms energy: -90.816432
where:
bonds (distance) C4'-P energy: -20.572
bonds (distance) P-C4' energy: -19.732
flat angles C4'-P-C4' energy: -18.093
flat angles P-C4'-P energy: -14.827
tors. eta vs tors. theta energy: -17.593
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 191
Temperature: 1.100000
Total energy: -227.620209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.620209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.620209 (E_RNA)
where:
Base-Base interactions energy: -143.575
where: short stacking energy: -75.127
Base-Backbone interact. energy: -0.949
local terms energy: -83.096153
where:
bonds (distance) C4'-P energy: -17.666
bonds (distance) P-C4' energy: -16.705
flat angles C4'-P-C4' energy: -17.886
flat angles P-C4'-P energy: -12.199
tors. eta vs tors. theta energy: -18.640
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 191
Temperature: 1.150000
Total energy: -238.794879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.794879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.794879 (E_RNA)
where:
Base-Base interactions energy: -155.615
where: short stacking energy: -74.726
Base-Backbone interact. energy: -0.115
local terms energy: -83.065402
where:
bonds (distance) C4'-P energy: -17.589
bonds (distance) P-C4' energy: -14.091
flat angles C4'-P-C4' energy: -21.170
flat angles P-C4'-P energy: -14.015
tors. eta vs tors. theta energy: -16.201
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 191
Temperature: 1.200000
Total energy: -271.209979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.209979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.209979 (E_RNA)
where:
Base-Base interactions energy: -184.848
where: short stacking energy: -79.002
Base-Backbone interact. energy: 0.367
local terms energy: -86.729057
where:
bonds (distance) C4'-P energy: -14.871
bonds (distance) P-C4' energy: -16.177
flat angles C4'-P-C4' energy: -21.820
flat angles P-C4'-P energy: -15.544
tors. eta vs tors. theta energy: -18.317
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 191
Temperature: 1.250000
Total energy: -208.143903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.143903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.143903 (E_RNA)
where:
Base-Base interactions energy: -130.575
where: short stacking energy: -68.068
Base-Backbone interact. energy: 0.006
local terms energy: -77.574586
where:
bonds (distance) C4'-P energy: -13.283
bonds (distance) P-C4' energy: -18.773
flat angles C4'-P-C4' energy: -19.127
flat angles P-C4'-P energy: -11.500
tors. eta vs tors. theta energy: -14.892
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 191
Temperature: 1.300000
Total energy: -106.835873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.835873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.835873 (E_RNA)
where:
Base-Base interactions energy: -51.912
where: short stacking energy: -42.085
Base-Backbone interact. energy: -0.723
local terms energy: -54.200411
where:
bonds (distance) C4'-P energy: -12.807
bonds (distance) P-C4' energy: -15.961
flat angles C4'-P-C4' energy: -14.981
flat angles P-C4'-P energy: -11.528
tors. eta vs tors. theta energy: 1.076
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 191
Temperature: 1.350000
Total energy: -94.469942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.469942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.469942 (E_RNA)
where:
Base-Base interactions energy: -35.356
where: short stacking energy: -30.358
Base-Backbone interact. energy: -0.310
local terms energy: -58.803650
where:
bonds (distance) C4'-P energy: -16.780
bonds (distance) P-C4' energy: -21.489
flat angles C4'-P-C4' energy: -12.747
flat angles P-C4'-P energy: -8.982
tors. eta vs tors. theta energy: 1.195
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 192
Temperature: 0.900000
Total energy: -342.661987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.661987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.661987 (E_RNA)
where:
Base-Base interactions energy: -236.912
where: short stacking energy: -90.990
Base-Backbone interact. energy: -0.342
local terms energy: -105.407851
where:
bonds (distance) C4'-P energy: -20.846
bonds (distance) P-C4' energy: -21.743
flat angles C4'-P-C4' energy: -23.298
flat angles P-C4'-P energy: -16.609
tors. eta vs tors. theta energy: -22.912
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 192
Temperature: 0.950000
Total energy: -309.890985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.890985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.890985 (E_RNA)
where:
Base-Base interactions energy: -199.503
where: short stacking energy: -101.178
Base-Backbone interact. energy: -0.363
local terms energy: -110.025143
where:
bonds (distance) C4'-P energy: -21.148
bonds (distance) P-C4' energy: -19.252
flat angles C4'-P-C4' energy: -22.888
flat angles P-C4'-P energy: -18.117
tors. eta vs tors. theta energy: -28.620
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 192
Temperature: 1.000000
Total energy: -282.794588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.794588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.794588 (E_RNA)
where:
Base-Base interactions energy: -192.324
where: short stacking energy: -77.617
Base-Backbone interact. energy: -0.963
local terms energy: -89.507977
where:
bonds (distance) C4'-P energy: -18.126
bonds (distance) P-C4' energy: -17.134
flat angles C4'-P-C4' energy: -17.467
flat angles P-C4'-P energy: -16.246
tors. eta vs tors. theta energy: -20.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 192
Temperature: 1.050000
Total energy: -275.095596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.095596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.095596 (E_RNA)
where:
Base-Base interactions energy: -191.266
where: short stacking energy: -77.972
Base-Backbone interact. energy: 0.089
local terms energy: -83.918556
where:
bonds (distance) C4'-P energy: -16.612
bonds (distance) P-C4' energy: -19.656
flat angles C4'-P-C4' energy: -19.110
flat angles P-C4'-P energy: -10.794
tors. eta vs tors. theta energy: -17.747
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 192
Temperature: 1.100000
Total energy: -266.994546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.994546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.994546 (E_RNA)
where:
Base-Base interactions energy: -175.345
where: short stacking energy: -96.022
Base-Backbone interact. energy: -0.021
local terms energy: -91.628914
where:
bonds (distance) C4'-P energy: -18.432
bonds (distance) P-C4' energy: -16.131
flat angles C4'-P-C4' energy: -16.475
flat angles P-C4'-P energy: -15.262
tors. eta vs tors. theta energy: -25.329
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 192
Temperature: 1.150000
Total energy: -222.359503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.359503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.359503 (E_RNA)
where:
Base-Base interactions energy: -148.888
where: short stacking energy: -77.743
Base-Backbone interact. energy: -1.414
local terms energy: -72.058424
where:
bonds (distance) C4'-P energy: -17.148
bonds (distance) P-C4' energy: -11.291
flat angles C4'-P-C4' energy: -16.885
flat angles P-C4'-P energy: -8.729
tors. eta vs tors. theta energy: -18.005
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 192
Temperature: 1.200000
Total energy: -266.311418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.311418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.311418 (E_RNA)
where:
Base-Base interactions energy: -188.416
where: short stacking energy: -72.337
Base-Backbone interact. energy: 0.267
local terms energy: -78.162260
where:
bonds (distance) C4'-P energy: -19.265
bonds (distance) P-C4' energy: -16.571
flat angles C4'-P-C4' energy: -17.749
flat angles P-C4'-P energy: -8.396
tors. eta vs tors. theta energy: -16.182
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 192
Temperature: 1.250000
Total energy: -236.544062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.544062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.544062 (E_RNA)
where:
Base-Base interactions energy: -151.157
where: short stacking energy: -70.659
Base-Backbone interact. energy: -0.729
local terms energy: -84.658067
where:
bonds (distance) C4'-P energy: -16.917
bonds (distance) P-C4' energy: -18.439
flat angles C4'-P-C4' energy: -12.776
flat angles P-C4'-P energy: -9.270
tors. eta vs tors. theta energy: -27.257
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 192
Temperature: 1.300000
Total energy: -110.775886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.775886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.775886 (E_RNA)
where:
Base-Base interactions energy: -46.656
where: short stacking energy: -37.870
Base-Backbone interact. energy: -0.009
local terms energy: -64.110787
where:
bonds (distance) C4'-P energy: -14.784
bonds (distance) P-C4' energy: -18.823
flat angles C4'-P-C4' energy: -11.669
flat angles P-C4'-P energy: -10.760
tors. eta vs tors. theta energy: -8.075
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 192
Temperature: 1.350000
Total energy: -112.757442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.757442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.757442 (E_RNA)
where:
Base-Base interactions energy: -47.609
where: short stacking energy: -45.662
Base-Backbone interact. energy: -0.119
local terms energy: -65.029785
where:
bonds (distance) C4'-P energy: -15.671
bonds (distance) P-C4' energy: -22.781
flat angles C4'-P-C4' energy: -11.570
flat angles P-C4'-P energy: -6.727
tors. eta vs tors. theta energy: -8.282
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 193
Temperature: 0.900000
Total energy: -352.842921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.842921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.842921 (E_RNA)
where:
Base-Base interactions energy: -250.527
where: short stacking energy: -103.361
Base-Backbone interact. energy: -0.565
local terms energy: -101.750838
where:
bonds (distance) C4'-P energy: -17.812
bonds (distance) P-C4' energy: -19.546
flat angles C4'-P-C4' energy: -21.990
flat angles P-C4'-P energy: -16.485
tors. eta vs tors. theta energy: -25.917
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 193
Temperature: 0.950000
Total energy: -293.611417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.611417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.611417 (E_RNA)
where:
Base-Base interactions energy: -201.839
where: short stacking energy: -77.606
Base-Backbone interact. energy: -0.277
local terms energy: -91.495418
where:
bonds (distance) C4'-P energy: -18.982
bonds (distance) P-C4' energy: -18.988
flat angles C4'-P-C4' energy: -17.270
flat angles P-C4'-P energy: -15.592
tors. eta vs tors. theta energy: -20.663
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 193
Temperature: 1.000000
Total energy: -299.698002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.698002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.698002 (E_RNA)
where:
Base-Base interactions energy: -207.571
where: short stacking energy: -95.636
Base-Backbone interact. energy: -0.171
local terms energy: -91.955242
where:
bonds (distance) C4'-P energy: -15.767
bonds (distance) P-C4' energy: -16.021
flat angles C4'-P-C4' energy: -20.276
flat angles P-C4'-P energy: -12.154
tors. eta vs tors. theta energy: -27.738
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 193
Temperature: 1.050000
Total energy: -259.823442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.823442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.823442 (E_RNA)
where:
Base-Base interactions energy: -168.066
where: short stacking energy: -78.487
Base-Backbone interact. energy: -0.174
local terms energy: -91.584059
where:
bonds (distance) C4'-P energy: -17.124
bonds (distance) P-C4' energy: -21.575
flat angles C4'-P-C4' energy: -20.006
flat angles P-C4'-P energy: -13.865
tors. eta vs tors. theta energy: -19.015
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 193
Temperature: 1.100000
Total energy: -251.272736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.272736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.272736 (E_RNA)
where:
Base-Base interactions energy: -167.553
where: short stacking energy: -78.501
Base-Backbone interact. energy: -0.232
local terms energy: -83.487976
where:
bonds (distance) C4'-P energy: -16.843
bonds (distance) P-C4' energy: -13.293
flat angles C4'-P-C4' energy: -18.433
flat angles P-C4'-P energy: -14.381
tors. eta vs tors. theta energy: -20.538
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 193
Temperature: 1.150000
Total energy: -219.784617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.784617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.784617 (E_RNA)
where:
Base-Base interactions energy: -146.578
where: short stacking energy: -63.318
Base-Backbone interact. energy: -0.683
local terms energy: -72.523684
where:
bonds (distance) C4'-P energy: -17.866
bonds (distance) P-C4' energy: -17.384
flat angles C4'-P-C4' energy: -17.373
flat angles P-C4'-P energy: -8.979
tors. eta vs tors. theta energy: -10.921
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 193
Temperature: 1.200000
Total energy: -220.212241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.212241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.212241 (E_RNA)
where:
Base-Base interactions energy: -136.465
where: short stacking energy: -68.848
Base-Backbone interact. energy: 0.053
local terms energy: -83.800176
where:
bonds (distance) C4'-P energy: -15.684
bonds (distance) P-C4' energy: -16.954
flat angles C4'-P-C4' energy: -18.592
flat angles P-C4'-P energy: -16.500
tors. eta vs tors. theta energy: -16.070
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 193
Temperature: 1.250000
Total energy: -227.338910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.338910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.338910 (E_RNA)
where:
Base-Base interactions energy: -151.905
where: short stacking energy: -74.690
Base-Backbone interact. energy: 0.220
local terms energy: -75.653782
where:
bonds (distance) C4'-P energy: -15.544
bonds (distance) P-C4' energy: -17.997
flat angles C4'-P-C4' energy: -18.495
flat angles P-C4'-P energy: -9.185
tors. eta vs tors. theta energy: -14.434
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 193
Temperature: 1.300000
Total energy: -107.805519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.805519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.805519 (E_RNA)
where:
Base-Base interactions energy: -37.699
where: short stacking energy: -37.066
Base-Backbone interact. energy: -0.121
local terms energy: -69.986134
where:
bonds (distance) C4'-P energy: -16.308
bonds (distance) P-C4' energy: -21.676
flat angles C4'-P-C4' energy: -17.187
flat angles P-C4'-P energy: -10.088
tors. eta vs tors. theta energy: -4.726
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 193
Temperature: 1.350000
Total energy: -104.309641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.309641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.309641 (E_RNA)
where:
Base-Base interactions energy: -50.704
where: short stacking energy: -39.808
Base-Backbone interact. energy: -0.209
local terms energy: -53.396418
where:
bonds (distance) C4'-P energy: -15.005
bonds (distance) P-C4' energy: -20.912
flat angles C4'-P-C4' energy: -7.206
flat angles P-C4'-P energy: -9.795
tors. eta vs tors. theta energy: -0.478
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 194
Temperature: 0.900000
Total energy: -341.232114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.232114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.232114 (E_RNA)
where:
Base-Base interactions energy: -236.233
where: short stacking energy: -94.910
Base-Backbone interact. energy: -1.203
local terms energy: -103.796408
where:
bonds (distance) C4'-P energy: -20.412
bonds (distance) P-C4' energy: -20.411
flat angles C4'-P-C4' energy: -19.888
flat angles P-C4'-P energy: -17.715
tors. eta vs tors. theta energy: -25.370
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 194
Temperature: 0.950000
Total energy: -295.656352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.656352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.656352 (E_RNA)
where:
Base-Base interactions energy: -195.927
where: short stacking energy: -79.552
Base-Backbone interact. energy: -0.183
local terms energy: -99.546739
where:
bonds (distance) C4'-P energy: -20.973
bonds (distance) P-C4' energy: -18.800
flat angles C4'-P-C4' energy: -22.704
flat angles P-C4'-P energy: -15.658
tors. eta vs tors. theta energy: -21.412
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 194
Temperature: 1.000000
Total energy: -273.179000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.179000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.179000 (E_RNA)
where:
Base-Base interactions energy: -185.562
where: short stacking energy: -81.307
Base-Backbone interact. energy: -0.893
local terms energy: -86.724316
where:
bonds (distance) C4'-P energy: -19.630
bonds (distance) P-C4' energy: -16.929
flat angles C4'-P-C4' energy: -22.276
flat angles P-C4'-P energy: -12.783
tors. eta vs tors. theta energy: -15.106
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 194
Temperature: 1.050000
Total energy: -299.478147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.478147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.478147 (E_RNA)
where:
Base-Base interactions energy: -211.817
where: short stacking energy: -92.913
Base-Backbone interact. energy: -0.821
local terms energy: -86.840324
where:
bonds (distance) C4'-P energy: -12.024
bonds (distance) P-C4' energy: -20.841
flat angles C4'-P-C4' energy: -19.415
flat angles P-C4'-P energy: -10.060
tors. eta vs tors. theta energy: -24.501
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 194
Temperature: 1.100000
Total energy: -224.990225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.990225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.990225 (E_RNA)
where:
Base-Base interactions energy: -145.556
where: short stacking energy: -71.221
Base-Backbone interact. energy: -0.960
local terms energy: -78.473559
where:
bonds (distance) C4'-P energy: -17.754
bonds (distance) P-C4' energy: -18.477
flat angles C4'-P-C4' energy: -18.699
flat angles P-C4'-P energy: -9.784
tors. eta vs tors. theta energy: -13.759
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 194
Temperature: 1.150000
Total energy: -249.598132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.598132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.598132 (E_RNA)
where:
Base-Base interactions energy: -166.574
where: short stacking energy: -75.126
Base-Backbone interact. energy: -0.083
local terms energy: -82.941100
where:
bonds (distance) C4'-P energy: -16.177
bonds (distance) P-C4' energy: -17.931
flat angles C4'-P-C4' energy: -19.003
flat angles P-C4'-P energy: -12.020
tors. eta vs tors. theta energy: -17.811
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 194
Temperature: 1.200000
Total energy: -220.818899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.818899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.818899 (E_RNA)
where:
Base-Base interactions energy: -133.726
where: short stacking energy: -66.692
Base-Backbone interact. energy: -0.005
local terms energy: -87.088491
where:
bonds (distance) C4'-P energy: -18.519
bonds (distance) P-C4' energy: -16.949
flat angles C4'-P-C4' energy: -19.137
flat angles P-C4'-P energy: -14.322
tors. eta vs tors. theta energy: -18.161
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 194
Temperature: 1.250000
Total energy: -238.239121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.239121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.239121 (E_RNA)
where:
Base-Base interactions energy: -157.394
where: short stacking energy: -68.616
Base-Backbone interact. energy: -0.444
local terms energy: -80.400592
where:
bonds (distance) C4'-P energy: -17.912
bonds (distance) P-C4' energy: -13.144
flat angles C4'-P-C4' energy: -18.670
flat angles P-C4'-P energy: -14.603
tors. eta vs tors. theta energy: -16.072
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 194
Temperature: 1.300000
Total energy: -123.159713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.159713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.159713 (E_RNA)
where:
Base-Base interactions energy: -67.750
where: short stacking energy: -46.331
Base-Backbone interact. energy: 1.055
local terms energy: -56.464706
where:
bonds (distance) C4'-P energy: -16.871
bonds (distance) P-C4' energy: -14.672
flat angles C4'-P-C4' energy: -19.468
flat angles P-C4'-P energy: 2.932
tors. eta vs tors. theta energy: -8.386
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 194
Temperature: 1.350000
Total energy: -101.114208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.114208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.114208 (E_RNA)
where:
Base-Base interactions energy: -48.830
where: short stacking energy: -44.316
Base-Backbone interact. energy: -0.166
local terms energy: -52.117838
where:
bonds (distance) C4'-P energy: -10.549
bonds (distance) P-C4' energy: -15.015
flat angles C4'-P-C4' energy: -15.223
flat angles P-C4'-P energy: -6.332
tors. eta vs tors. theta energy: -4.998
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 195
Temperature: 0.900000
Total energy: -339.715530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.715530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.715530 (E_RNA)
where:
Base-Base interactions energy: -234.698
where: short stacking energy: -95.167
Base-Backbone interact. energy: -0.477
local terms energy: -104.541260
where:
bonds (distance) C4'-P energy: -19.459
bonds (distance) P-C4' energy: -22.571
flat angles C4'-P-C4' energy: -21.895
flat angles P-C4'-P energy: -17.362
tors. eta vs tors. theta energy: -23.255
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 195
Temperature: 0.950000
Total energy: -276.655012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.655012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.655012 (E_RNA)
where:
Base-Base interactions energy: -182.920
where: short stacking energy: -71.058
Base-Backbone interact. energy: -0.202
local terms energy: -93.532283
where:
bonds (distance) C4'-P energy: -20.758
bonds (distance) P-C4' energy: -21.189
flat angles C4'-P-C4' energy: -19.538
flat angles P-C4'-P energy: -13.161
tors. eta vs tors. theta energy: -18.886
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 195
Temperature: 1.000000
Total energy: -288.562552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.562552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.562552 (E_RNA)
where:
Base-Base interactions energy: -198.561
where: short stacking energy: -82.507
Base-Backbone interact. energy: -0.133
local terms energy: -89.868424
where:
bonds (distance) C4'-P energy: -16.689
bonds (distance) P-C4' energy: -22.996
flat angles C4'-P-C4' energy: -15.712
flat angles P-C4'-P energy: -15.094
tors. eta vs tors. theta energy: -19.376
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 195
Temperature: 1.050000
Total energy: -296.402830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.402830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.402830 (E_RNA)
where:
Base-Base interactions energy: -202.233
where: short stacking energy: -96.656
Base-Backbone interact. energy: -0.794
local terms energy: -93.375808
where:
bonds (distance) C4'-P energy: -18.585
bonds (distance) P-C4' energy: -18.885
flat angles C4'-P-C4' energy: -17.753
flat angles P-C4'-P energy: -12.732
tors. eta vs tors. theta energy: -25.420
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 195
Temperature: 1.100000
Total energy: -218.603253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.603253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.603253 (E_RNA)
where:
Base-Base interactions energy: -135.328
where: short stacking energy: -66.428
Base-Backbone interact. energy: -1.196
local terms energy: -82.079088
where:
bonds (distance) C4'-P energy: -19.715
bonds (distance) P-C4' energy: -21.084
flat angles C4'-P-C4' energy: -17.690
flat angles P-C4'-P energy: -5.112
tors. eta vs tors. theta energy: -18.477
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 195
Temperature: 1.150000
Total energy: -230.440740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.440740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.440740 (E_RNA)
where:
Base-Base interactions energy: -149.745
where: short stacking energy: -76.583
Base-Backbone interact. energy: 0.573
local terms energy: -81.268855
where:
bonds (distance) C4'-P energy: -18.275
bonds (distance) P-C4' energy: -16.081
flat angles C4'-P-C4' energy: -19.188
flat angles P-C4'-P energy: -11.963
tors. eta vs tors. theta energy: -15.761
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 195
Temperature: 1.200000
Total energy: -231.291941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.291941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.291941 (E_RNA)
where:
Base-Base interactions energy: -146.666
where: short stacking energy: -74.102
Base-Backbone interact. energy: 2.135
local terms energy: -86.761312
where:
bonds (distance) C4'-P energy: -16.506
bonds (distance) P-C4' energy: -20.333
flat angles C4'-P-C4' energy: -17.970
flat angles P-C4'-P energy: -14.023
tors. eta vs tors. theta energy: -17.929
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 195
Temperature: 1.250000
Total energy: -221.895895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.895895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.895895 (E_RNA)
where:
Base-Base interactions energy: -144.257
where: short stacking energy: -73.563
Base-Backbone interact. energy: -0.838
local terms energy: -76.800477
where:
bonds (distance) C4'-P energy: -16.436
bonds (distance) P-C4' energy: -16.901
flat angles C4'-P-C4' energy: -17.460
flat angles P-C4'-P energy: -8.560
tors. eta vs tors. theta energy: -17.443
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 195
Temperature: 1.300000
Total energy: -205.820818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.820818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.820818 (E_RNA)
where:
Base-Base interactions energy: -141.312
where: short stacking energy: -56.931
Base-Backbone interact. energy: -0.231
local terms energy: -64.277874
where:
bonds (distance) C4'-P energy: -21.222
bonds (distance) P-C4' energy: -13.736
flat angles C4'-P-C4' energy: -12.826
flat angles P-C4'-P energy: -11.853
tors. eta vs tors. theta energy: -4.641
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 195
Temperature: 1.350000
Total energy: -107.398139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.398139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.398139 (E_RNA)
where:
Base-Base interactions energy: -57.999
where: short stacking energy: -36.838
Base-Backbone interact. energy: -0.103
local terms energy: -49.296099
where:
bonds (distance) C4'-P energy: -10.387
bonds (distance) P-C4' energy: -19.290
flat angles C4'-P-C4' energy: -4.938
flat angles P-C4'-P energy: -11.107
tors. eta vs tors. theta energy: -3.573
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 196
Temperature: 0.900000
Total energy: -340.493413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.493413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.493413 (E_RNA)
where:
Base-Base interactions energy: -240.598
where: short stacking energy: -98.297
Base-Backbone interact. energy: -0.158
local terms energy: -99.737559
where:
bonds (distance) C4'-P energy: -18.833
bonds (distance) P-C4' energy: -19.415
flat angles C4'-P-C4' energy: -21.275
flat angles P-C4'-P energy: -16.964
tors. eta vs tors. theta energy: -23.251
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 196
Temperature: 0.950000
Total energy: -288.537380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.537380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.537380 (E_RNA)
where:
Base-Base interactions energy: -195.787
where: short stacking energy: -77.664
Base-Backbone interact. energy: 0.144
local terms energy: -92.894401
where:
bonds (distance) C4'-P energy: -16.387
bonds (distance) P-C4' energy: -21.282
flat angles C4'-P-C4' energy: -20.777
flat angles P-C4'-P energy: -16.394
tors. eta vs tors. theta energy: -18.054
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 196
Temperature: 1.000000
Total energy: -289.577475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.577475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.577475 (E_RNA)
where:
Base-Base interactions energy: -188.800
where: short stacking energy: -101.942
Base-Backbone interact. energy: -0.369
local terms energy: -100.408292
where:
bonds (distance) C4'-P energy: -20.796
bonds (distance) P-C4' energy: -21.486
flat angles C4'-P-C4' energy: -20.285
flat angles P-C4'-P energy: -13.876
tors. eta vs tors. theta energy: -23.966
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 196
Temperature: 1.050000
Total energy: -284.119709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.119709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.119709 (E_RNA)
where:
Base-Base interactions energy: -188.074
where: short stacking energy: -91.401
Base-Backbone interact. energy: 0.088
local terms energy: -96.133598
where:
bonds (distance) C4'-P energy: -14.259
bonds (distance) P-C4' energy: -21.640
flat angles C4'-P-C4' energy: -21.722
flat angles P-C4'-P energy: -13.120
tors. eta vs tors. theta energy: -25.392
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 196
Temperature: 1.100000
Total energy: -214.570391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.570391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.570391 (E_RNA)
where:
Base-Base interactions energy: -138.006
where: short stacking energy: -64.322
Base-Backbone interact. energy: 0.135
local terms energy: -76.698949
where:
bonds (distance) C4'-P energy: -21.382
bonds (distance) P-C4' energy: -18.526
flat angles C4'-P-C4' energy: -20.380
flat angles P-C4'-P energy: -5.416
tors. eta vs tors. theta energy: -10.994
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 196
Temperature: 1.150000
Total energy: -244.323011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.323011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.323011 (E_RNA)
where:
Base-Base interactions energy: -168.136
where: short stacking energy: -78.662
Base-Backbone interact. energy: 0.965
local terms energy: -77.151365
where:
bonds (distance) C4'-P energy: -18.237
bonds (distance) P-C4' energy: -9.889
flat angles C4'-P-C4' energy: -14.965
flat angles P-C4'-P energy: -9.803
tors. eta vs tors. theta energy: -24.257
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 196
Temperature: 1.200000
Total energy: -212.052561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.052561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.052561 (E_RNA)
where:
Base-Base interactions energy: -142.434
where: short stacking energy: -60.281
Base-Backbone interact. energy: -1.548
local terms energy: -68.069837
where:
bonds (distance) C4'-P energy: -14.371
bonds (distance) P-C4' energy: -16.753
flat angles C4'-P-C4' energy: -15.958
flat angles P-C4'-P energy: -6.633
tors. eta vs tors. theta energy: -14.354
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 196
Temperature: 1.250000
Total energy: -226.763652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.763652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.763652 (E_RNA)
where:
Base-Base interactions energy: -135.645
where: short stacking energy: -59.286
Base-Backbone interact. energy: -0.749
local terms energy: -90.369863
where:
bonds (distance) C4'-P energy: -20.917
bonds (distance) P-C4' energy: -19.451
flat angles C4'-P-C4' energy: -19.037
flat angles P-C4'-P energy: -9.959
tors. eta vs tors. theta energy: -21.007
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 196
Temperature: 1.300000
Total energy: -213.358503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.358503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.358503 (E_RNA)
where:
Base-Base interactions energy: -146.907
where: short stacking energy: -54.147
Base-Backbone interact. energy: -0.796
local terms energy: -65.654882
where:
bonds (distance) C4'-P energy: -12.688
bonds (distance) P-C4' energy: -16.854
flat angles C4'-P-C4' energy: -15.311
flat angles P-C4'-P energy: -9.260
tors. eta vs tors. theta energy: -11.541
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 196
Temperature: 1.350000
Total energy: -175.413488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.413488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.413488 (E_RNA)
where:
Base-Base interactions energy: -108.995
where: short stacking energy: -39.260
Base-Backbone interact. energy: -1.474
local terms energy: -64.945086
where:
bonds (distance) C4'-P energy: -15.989
bonds (distance) P-C4' energy: -15.802
flat angles C4'-P-C4' energy: -16.432
flat angles P-C4'-P energy: -7.913
tors. eta vs tors. theta energy: -8.808
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 197
Temperature: 0.900000
Total energy: -346.668777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.668777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.668777 (E_RNA)
where:
Base-Base interactions energy: -254.037
where: short stacking energy: -101.545
Base-Backbone interact. energy: -0.884
local terms energy: -91.748746
where:
bonds (distance) C4'-P energy: -17.978
bonds (distance) P-C4' energy: -17.074
flat angles C4'-P-C4' energy: -21.324
flat angles P-C4'-P energy: -14.042
tors. eta vs tors. theta energy: -21.330
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 197
Temperature: 0.950000
Total energy: -290.010811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.010811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.010811 (E_RNA)
where:
Base-Base interactions energy: -199.281
where: short stacking energy: -92.542
Base-Backbone interact. energy: -0.131
local terms energy: -90.598772
where:
bonds (distance) C4'-P energy: -17.491
bonds (distance) P-C4' energy: -16.265
flat angles C4'-P-C4' energy: -21.201
flat angles P-C4'-P energy: -14.400
tors. eta vs tors. theta energy: -21.242
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 197
Temperature: 1.000000
Total energy: -296.452693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.452693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.452693 (E_RNA)
where:
Base-Base interactions energy: -199.545
where: short stacking energy: -90.077
Base-Backbone interact. energy: -0.813
local terms energy: -96.094584
where:
bonds (distance) C4'-P energy: -16.968
bonds (distance) P-C4' energy: -21.940
flat angles C4'-P-C4' energy: -18.407
flat angles P-C4'-P energy: -12.600
tors. eta vs tors. theta energy: -26.180
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 197
Temperature: 1.050000
Total energy: -247.003389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.003389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.003389 (E_RNA)
where:
Base-Base interactions energy: -156.866
where: short stacking energy: -82.188
Base-Backbone interact. energy: -0.839
local terms energy: -89.298672
where:
bonds (distance) C4'-P energy: -20.142
bonds (distance) P-C4' energy: -17.748
flat angles C4'-P-C4' energy: -17.807
flat angles P-C4'-P energy: -13.427
tors. eta vs tors. theta energy: -20.175
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 197
Temperature: 1.100000
Total energy: -264.425588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.425588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.425588 (E_RNA)
where:
Base-Base interactions energy: -183.158
where: short stacking energy: -77.651
Base-Backbone interact. energy: 0.220
local terms energy: -81.487153
where:
bonds (distance) C4'-P energy: -13.191
bonds (distance) P-C4' energy: -18.628
flat angles C4'-P-C4' energy: -20.544
flat angles P-C4'-P energy: -8.503
tors. eta vs tors. theta energy: -20.621
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 197
Temperature: 1.150000
Total energy: -242.642632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.642632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.642632 (E_RNA)
where:
Base-Base interactions energy: -161.516
where: short stacking energy: -65.075
Base-Backbone interact. energy: 0.865
local terms energy: -81.992219
where:
bonds (distance) C4'-P energy: -18.625
bonds (distance) P-C4' energy: -16.592
flat angles C4'-P-C4' energy: -21.895
flat angles P-C4'-P energy: -12.474
tors. eta vs tors. theta energy: -12.407
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 197
Temperature: 1.200000
Total energy: -237.188980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.188980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.188980 (E_RNA)
where:
Base-Base interactions energy: -160.828
where: short stacking energy: -72.514
Base-Backbone interact. energy: -0.919
local terms energy: -75.441758
where:
bonds (distance) C4'-P energy: -15.361
bonds (distance) P-C4' energy: -18.453
flat angles C4'-P-C4' energy: -19.179
flat angles P-C4'-P energy: -10.095
tors. eta vs tors. theta energy: -12.354
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 197
Temperature: 1.250000
Total energy: -220.359908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.359908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.359908 (E_RNA)
where:
Base-Base interactions energy: -144.386
where: short stacking energy: -66.646
Base-Backbone interact. energy: -0.656
local terms energy: -75.318265
where:
bonds (distance) C4'-P energy: -17.266
bonds (distance) P-C4' energy: -19.742
flat angles C4'-P-C4' energy: -14.251
flat angles P-C4'-P energy: -9.257
tors. eta vs tors. theta energy: -14.803
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 197
Temperature: 1.300000
Total energy: -194.899424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.899424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.899424 (E_RNA)
where:
Base-Base interactions energy: -127.292
where: short stacking energy: -50.505
Base-Backbone interact. energy: -0.459
local terms energy: -67.148370
where:
bonds (distance) C4'-P energy: -16.756
bonds (distance) P-C4' energy: -18.441
flat angles C4'-P-C4' energy: -13.229
flat angles P-C4'-P energy: -9.643
tors. eta vs tors. theta energy: -9.079
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 197
Temperature: 1.350000
Total energy: -138.335475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.335475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.335475 (E_RNA)
where:
Base-Base interactions energy: -71.875
where: short stacking energy: -43.675
Base-Backbone interact. energy: -0.228
local terms energy: -66.231673
where:
bonds (distance) C4'-P energy: -9.390
bonds (distance) P-C4' energy: -22.861
flat angles C4'-P-C4' energy: -18.116
flat angles P-C4'-P energy: -12.277
tors. eta vs tors. theta energy: -3.587
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 198
Temperature: 0.900000
Total energy: -297.774227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.774227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.774227 (E_RNA)
where:
Base-Base interactions energy: -199.473
where: short stacking energy: -89.461
Base-Backbone interact. energy: -0.313
local terms energy: -97.989013
where:
bonds (distance) C4'-P energy: -21.491
bonds (distance) P-C4' energy: -21.401
flat angles C4'-P-C4' energy: -19.076
flat angles P-C4'-P energy: -12.058
tors. eta vs tors. theta energy: -23.963
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 198
Temperature: 0.950000
Total energy: -341.963366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.963366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.963366 (E_RNA)
where:
Base-Base interactions energy: -240.300
where: short stacking energy: -103.426
Base-Backbone interact. energy: -1.206
local terms energy: -100.457184
where:
bonds (distance) C4'-P energy: -21.976
bonds (distance) P-C4' energy: -18.656
flat angles C4'-P-C4' energy: -21.108
flat angles P-C4'-P energy: -14.078
tors. eta vs tors. theta energy: -24.640
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 198
Temperature: 1.000000
Total energy: -302.722050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.722050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.722050 (E_RNA)
where:
Base-Base interactions energy: -206.753
where: short stacking energy: -100.072
Base-Backbone interact. energy: -0.117
local terms energy: -95.851925
where:
bonds (distance) C4'-P energy: -17.864
bonds (distance) P-C4' energy: -18.787
flat angles C4'-P-C4' energy: -21.561
flat angles P-C4'-P energy: -11.604
tors. eta vs tors. theta energy: -26.035
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 198
Temperature: 1.050000
Total energy: -236.856746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.856746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.856746 (E_RNA)
where:
Base-Base interactions energy: -149.500
where: short stacking energy: -83.100
Base-Backbone interact. energy: -0.007
local terms energy: -87.349445
where:
bonds (distance) C4'-P energy: -16.917
bonds (distance) P-C4' energy: -20.152
flat angles C4'-P-C4' energy: -18.613
flat angles P-C4'-P energy: -13.386
tors. eta vs tors. theta energy: -18.282
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 198
Temperature: 1.100000
Total energy: -246.210151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.210151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.210151 (E_RNA)
where:
Base-Base interactions energy: -156.576
where: short stacking energy: -74.566
Base-Backbone interact. energy: -0.623
local terms energy: -89.011934
where:
bonds (distance) C4'-P energy: -18.884
bonds (distance) P-C4' energy: -17.769
flat angles C4'-P-C4' energy: -21.677
flat angles P-C4'-P energy: -12.113
tors. eta vs tors. theta energy: -18.569
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 198
Temperature: 1.150000
Total energy: -224.758560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.758560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.758560 (E_RNA)
where:
Base-Base interactions energy: -147.390
where: short stacking energy: -71.821
Base-Backbone interact. energy: -0.815
local terms energy: -76.553031
where:
bonds (distance) C4'-P energy: -17.128
bonds (distance) P-C4' energy: -15.414
flat angles C4'-P-C4' energy: -18.718
flat angles P-C4'-P energy: -12.418
tors. eta vs tors. theta energy: -12.875
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 198
Temperature: 1.200000
Total energy: -232.309061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.309061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.309061 (E_RNA)
where:
Base-Base interactions energy: -152.994
where: short stacking energy: -73.622
Base-Backbone interact. energy: -0.700
local terms energy: -78.614840
where:
bonds (distance) C4'-P energy: -12.373
bonds (distance) P-C4' energy: -17.639
flat angles C4'-P-C4' energy: -20.749
flat angles P-C4'-P energy: -8.171
tors. eta vs tors. theta energy: -19.683
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 198
Temperature: 1.250000
Total energy: -225.598896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.598896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.598896 (E_RNA)
where:
Base-Base interactions energy: -146.261
where: short stacking energy: -59.887
Base-Backbone interact. energy: -0.143
local terms energy: -79.194735
where:
bonds (distance) C4'-P energy: -15.409
bonds (distance) P-C4' energy: -17.772
flat angles C4'-P-C4' energy: -18.786
flat angles P-C4'-P energy: -12.004
tors. eta vs tors. theta energy: -15.224
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 198
Temperature: 1.300000
Total energy: -189.157429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.157429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.157429 (E_RNA)
where:
Base-Base interactions energy: -111.217
where: short stacking energy: -53.735
Base-Backbone interact. energy: -0.281
local terms energy: -77.658898
where:
bonds (distance) C4'-P energy: -17.580
bonds (distance) P-C4' energy: -19.433
flat angles C4'-P-C4' energy: -19.614
flat angles P-C4'-P energy: -11.334
tors. eta vs tors. theta energy: -9.697
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 198
Temperature: 1.350000
Total energy: -140.283827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.283827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.283827 (E_RNA)
where:
Base-Base interactions energy: -88.762
where: short stacking energy: -46.303
Base-Backbone interact. energy: -0.102
local terms energy: -51.420447
where:
bonds (distance) C4'-P energy: -15.898
bonds (distance) P-C4' energy: -15.779
flat angles C4'-P-C4' energy: -4.812
flat angles P-C4'-P energy: -12.098
tors. eta vs tors. theta energy: -2.833
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 199
Temperature: 0.900000
Total energy: -302.302636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.302636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.302636 (E_RNA)
where:
Base-Base interactions energy: -205.125
where: short stacking energy: -90.507
Base-Backbone interact. energy: -0.069
local terms energy: -97.108149
where:
bonds (distance) C4'-P energy: -19.513
bonds (distance) P-C4' energy: -22.566
flat angles C4'-P-C4' energy: -20.131
flat angles P-C4'-P energy: -16.395
tors. eta vs tors. theta energy: -18.503
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 199
Temperature: 0.950000
Total energy: -341.175390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.175390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.175390 (E_RNA)
where:
Base-Base interactions energy: -241.719
where: short stacking energy: -99.797
Base-Backbone interact. energy: -0.539
local terms energy: -98.917191
where:
bonds (distance) C4'-P energy: -23.102
bonds (distance) P-C4' energy: -19.638
flat angles C4'-P-C4' energy: -17.024
flat angles P-C4'-P energy: -15.612
tors. eta vs tors. theta energy: -23.542
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 199
Temperature: 1.000000
Total energy: -303.348770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.348770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.348770 (E_RNA)
where:
Base-Base interactions energy: -209.870
where: short stacking energy: -92.177
Base-Backbone interact. energy: 1.720
local terms energy: -95.198584
where:
bonds (distance) C4'-P energy: -22.004
bonds (distance) P-C4' energy: -19.780
flat angles C4'-P-C4' energy: -18.105
flat angles P-C4'-P energy: -9.299
tors. eta vs tors. theta energy: -26.011
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 199
Temperature: 1.050000
Total energy: -249.796150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.796150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.796150 (E_RNA)
where:
Base-Base interactions energy: -162.684
where: short stacking energy: -76.840
Base-Backbone interact. energy: -0.256
local terms energy: -86.855624
where:
bonds (distance) C4'-P energy: -19.012
bonds (distance) P-C4' energy: -19.594
flat angles C4'-P-C4' energy: -21.533
flat angles P-C4'-P energy: -5.813
tors. eta vs tors. theta energy: -20.905
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 199
Temperature: 1.100000
Total energy: -234.506836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.506836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.506836 (E_RNA)
where:
Base-Base interactions energy: -146.492
where: short stacking energy: -76.823
Base-Backbone interact. energy: -0.758
local terms energy: -87.256565
where:
bonds (distance) C4'-P energy: -17.463
bonds (distance) P-C4' energy: -17.972
flat angles C4'-P-C4' energy: -20.930
flat angles P-C4'-P energy: -11.583
tors. eta vs tors. theta energy: -19.308
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 199
Temperature: 1.150000
Total energy: -225.658917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.658917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.658917 (E_RNA)
where:
Base-Base interactions energy: -146.141
where: short stacking energy: -70.105
Base-Backbone interact. energy: -0.761
local terms energy: -78.756943
where:
bonds (distance) C4'-P energy: -16.106
bonds (distance) P-C4' energy: -14.636
flat angles C4'-P-C4' energy: -18.768
flat angles P-C4'-P energy: -12.447
tors. eta vs tors. theta energy: -16.800
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 199
Temperature: 1.200000
Total energy: -214.697600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.697600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.697600 (E_RNA)
where:
Base-Base interactions energy: -149.912
where: short stacking energy: -67.912
Base-Backbone interact. energy: -0.129
local terms energy: -64.657155
where:
bonds (distance) C4'-P energy: -12.356
bonds (distance) P-C4' energy: -20.720
flat angles C4'-P-C4' energy: -15.469
flat angles P-C4'-P energy: -7.131
tors. eta vs tors. theta energy: -8.982
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 199
Temperature: 1.250000
Total energy: -216.453073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.453073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.453073 (E_RNA)
where:
Base-Base interactions energy: -139.493
where: short stacking energy: -64.043
Base-Backbone interact. energy: -0.266
local terms energy: -76.694445
where:
bonds (distance) C4'-P energy: -16.910
bonds (distance) P-C4' energy: -18.652
flat angles C4'-P-C4' energy: -14.810
flat angles P-C4'-P energy: -10.949
tors. eta vs tors. theta energy: -15.374
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 199
Temperature: 1.300000
Total energy: -179.587825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.587825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.587825 (E_RNA)
where:
Base-Base interactions energy: -105.368
where: short stacking energy: -56.170
Base-Backbone interact. energy: -0.344
local terms energy: -73.875535
where:
bonds (distance) C4'-P energy: -17.272
bonds (distance) P-C4' energy: -17.621
flat angles C4'-P-C4' energy: -18.343
flat angles P-C4'-P energy: -14.009
tors. eta vs tors. theta energy: -6.630
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 199
Temperature: 1.350000
Total energy: -102.496187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.496187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.496187 (E_RNA)
where:
Base-Base interactions energy: -44.471
where: short stacking energy: -32.532
Base-Backbone interact. energy: -0.239
local terms energy: -57.785963
where:
bonds (distance) C4'-P energy: -10.936
bonds (distance) P-C4' energy: -21.318
flat angles C4'-P-C4' energy: -13.751
flat angles P-C4'-P energy: -7.237
tors. eta vs tors. theta energy: -4.544
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 200
Temperature: 0.900000
Total energy: -342.107481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.107481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.107481 (E_RNA)
where:
Base-Base interactions energy: -239.450
where: short stacking energy: -102.550
Base-Backbone interact. energy: -0.644
local terms energy: -102.012921
where:
bonds (distance) C4'-P energy: -18.316
bonds (distance) P-C4' energy: -21.284
flat angles C4'-P-C4' energy: -23.133
flat angles P-C4'-P energy: -16.037
tors. eta vs tors. theta energy: -23.243
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 200
Temperature: 0.950000
Total energy: -304.704462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.704462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.704462 (E_RNA)
where:
Base-Base interactions energy: -208.237
where: short stacking energy: -91.686
Base-Backbone interact. energy: 0.120
local terms energy: -96.587949
where:
bonds (distance) C4'-P energy: -19.000
bonds (distance) P-C4' energy: -23.769
flat angles C4'-P-C4' energy: -19.577
flat angles P-C4'-P energy: -13.546
tors. eta vs tors. theta energy: -20.696
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 200
Temperature: 1.000000
Total energy: -290.620909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.620909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.620909 (E_RNA)
where:
Base-Base interactions energy: -189.763
where: short stacking energy: -87.840
Base-Backbone interact. energy: -0.690
local terms energy: -100.168811
where:
bonds (distance) C4'-P energy: -19.000
bonds (distance) P-C4' energy: -23.526
flat angles C4'-P-C4' energy: -19.012
flat angles P-C4'-P energy: -13.133
tors. eta vs tors. theta energy: -25.499
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 200
Temperature: 1.050000
Total energy: -260.400803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.400803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.400803 (E_RNA)
where:
Base-Base interactions energy: -171.574
where: short stacking energy: -72.591
Base-Backbone interact. energy: -0.123
local terms energy: -88.703402
where:
bonds (distance) C4'-P energy: -21.745
bonds (distance) P-C4' energy: -19.453
flat angles C4'-P-C4' energy: -17.593
flat angles P-C4'-P energy: -14.367
tors. eta vs tors. theta energy: -15.545
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 200
Temperature: 1.100000
Total energy: -230.742144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.742144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.742144 (E_RNA)
where:
Base-Base interactions energy: -143.687
where: short stacking energy: -65.241
Base-Backbone interact. energy: -0.478
local terms energy: -86.577415
where:
bonds (distance) C4'-P energy: -18.231
bonds (distance) P-C4' energy: -17.614
flat angles C4'-P-C4' energy: -19.413
flat angles P-C4'-P energy: -14.395
tors. eta vs tors. theta energy: -16.926
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 200
Temperature: 1.150000
Total energy: -228.735727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.735727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.735727 (E_RNA)
where:
Base-Base interactions energy: -138.478
where: short stacking energy: -73.172
Base-Backbone interact. energy: -0.385
local terms energy: -89.873372
where:
bonds (distance) C4'-P energy: -19.719
bonds (distance) P-C4' energy: -22.581
flat angles C4'-P-C4' energy: -19.342
flat angles P-C4'-P energy: -12.497
tors. eta vs tors. theta energy: -15.734
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 200
Temperature: 1.200000
Total energy: -226.860119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.860119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.860119 (E_RNA)
where:
Base-Base interactions energy: -152.757
where: short stacking energy: -61.397
Base-Backbone interact. energy: -0.041
local terms energy: -74.062105
where:
bonds (distance) C4'-P energy: -18.429
bonds (distance) P-C4' energy: -13.186
flat angles C4'-P-C4' energy: -18.798
flat angles P-C4'-P energy: -15.146
tors. eta vs tors. theta energy: -8.503
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 200
Temperature: 1.250000
Total energy: -211.978688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.978688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.978688 (E_RNA)
where:
Base-Base interactions energy: -144.913
where: short stacking energy: -63.265
Base-Backbone interact. energy: 0.304
local terms energy: -67.369278
where:
bonds (distance) C4'-P energy: -15.468
bonds (distance) P-C4' energy: -14.541
flat angles C4'-P-C4' energy: -14.889
flat angles P-C4'-P energy: -11.582
tors. eta vs tors. theta energy: -10.890
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 200
Temperature: 1.300000
Total energy: -186.103325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.103325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.103325 (E_RNA)
where:
Base-Base interactions energy: -109.806
where: short stacking energy: -55.668
Base-Backbone interact. energy: -0.256
local terms energy: -76.040949
where:
bonds (distance) C4'-P energy: -18.706
bonds (distance) P-C4' energy: -17.939
flat angles C4'-P-C4' energy: -17.682
flat angles P-C4'-P energy: -6.744
tors. eta vs tors. theta energy: -14.969
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 200
Temperature: 1.350000
Total energy: -98.551841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.551841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.551841 (E_RNA)
where:
Base-Base interactions energy: -39.413
where: short stacking energy: -37.568
Base-Backbone interact. energy: -0.421
local terms energy: -58.718204
where:
bonds (distance) C4'-P energy: -13.133
bonds (distance) P-C4' energy: -17.442
flat angles C4'-P-C4' energy: -19.114
flat angles P-C4'-P energy: -6.335
tors. eta vs tors. theta energy: -2.694
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 201
Temperature: 0.900000
Total energy: -337.533843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.533843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.533843 (E_RNA)
where:
Base-Base interactions energy: -240.763
where: short stacking energy: -99.305
Base-Backbone interact. energy: -0.808
local terms energy: -95.962627
where:
bonds (distance) C4'-P energy: -18.034
bonds (distance) P-C4' energy: -18.611
flat angles C4'-P-C4' energy: -21.692
flat angles P-C4'-P energy: -14.800
tors. eta vs tors. theta energy: -22.826
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 201
Temperature: 0.950000
Total energy: -295.635961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.635961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.635961 (E_RNA)
where:
Base-Base interactions energy: -196.086
where: short stacking energy: -84.819
Base-Backbone interact. energy: -0.397
local terms energy: -99.152697
where:
bonds (distance) C4'-P energy: -22.953
bonds (distance) P-C4' energy: -21.190
flat angles C4'-P-C4' energy: -19.401
flat angles P-C4'-P energy: -14.553
tors. eta vs tors. theta energy: -21.056
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 201
Temperature: 1.000000
Total energy: -287.267729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.267729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.267729 (E_RNA)
where:
Base-Base interactions energy: -195.668
where: short stacking energy: -91.430
Base-Backbone interact. energy: -0.496
local terms energy: -91.103909
where:
bonds (distance) C4'-P energy: -17.407
bonds (distance) P-C4' energy: -20.922
flat angles C4'-P-C4' energy: -15.499
flat angles P-C4'-P energy: -15.103
tors. eta vs tors. theta energy: -22.173
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 201
Temperature: 1.050000
Total energy: -246.598095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.598095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.598095 (E_RNA)
where:
Base-Base interactions energy: -162.279
where: short stacking energy: -91.485
Base-Backbone interact. energy: -0.453
local terms energy: -83.866241
where:
bonds (distance) C4'-P energy: -13.388
bonds (distance) P-C4' energy: -19.646
flat angles C4'-P-C4' energy: -17.971
flat angles P-C4'-P energy: -7.270
tors. eta vs tors. theta energy: -25.591
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 201
Temperature: 1.100000
Total energy: -250.437194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.437194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.437194 (E_RNA)
where:
Base-Base interactions energy: -169.849
where: short stacking energy: -77.946
Base-Backbone interact. energy: -0.037
local terms energy: -80.551154
where:
bonds (distance) C4'-P energy: -17.390
bonds (distance) P-C4' energy: -17.896
flat angles C4'-P-C4' energy: -18.864
flat angles P-C4'-P energy: -8.412
tors. eta vs tors. theta energy: -17.989
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 201
Temperature: 1.150000
Total energy: -230.271358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.271358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.271358 (E_RNA)
where:
Base-Base interactions energy: -157.155
where: short stacking energy: -71.857
Base-Backbone interact. energy: 2.855
local terms energy: -75.972067
where:
bonds (distance) C4'-P energy: -16.597
bonds (distance) P-C4' energy: -13.951
flat angles C4'-P-C4' energy: -20.356
flat angles P-C4'-P energy: -10.688
tors. eta vs tors. theta energy: -14.381
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 201
Temperature: 1.200000
Total energy: -219.089311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.089311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.089311 (E_RNA)
where:
Base-Base interactions energy: -139.240
where: short stacking energy: -69.058
Base-Backbone interact. energy: -0.082
local terms energy: -79.766797
where:
bonds (distance) C4'-P energy: -17.893
bonds (distance) P-C4' energy: -17.819
flat angles C4'-P-C4' energy: -13.662
flat angles P-C4'-P energy: -13.646
tors. eta vs tors. theta energy: -16.747
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 201
Temperature: 1.250000
Total energy: -219.165008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.165008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.165008 (E_RNA)
where:
Base-Base interactions energy: -144.874
where: short stacking energy: -60.251
Base-Backbone interact. energy: -0.019
local terms energy: -74.271711
where:
bonds (distance) C4'-P energy: -19.471
bonds (distance) P-C4' energy: -21.394
flat angles C4'-P-C4' energy: -11.391
flat angles P-C4'-P energy: -10.540
tors. eta vs tors. theta energy: -11.474
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 201
Temperature: 1.300000
Total energy: -184.458000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.458000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.458000 (E_RNA)
where:
Base-Base interactions energy: -113.729
where: short stacking energy: -58.566
Base-Backbone interact. energy: 1.680
local terms energy: -72.409647
where:
bonds (distance) C4'-P energy: -8.140
bonds (distance) P-C4' energy: -15.962
flat angles C4'-P-C4' energy: -21.088
flat angles P-C4'-P energy: -14.328
tors. eta vs tors. theta energy: -12.893
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 201
Temperature: 1.350000
Total energy: -100.800601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.800601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.800601 (E_RNA)
where:
Base-Base interactions energy: -46.114
where: short stacking energy: -40.433
Base-Backbone interact. energy: -0.038
local terms energy: -54.648316
where:
bonds (distance) C4'-P energy: -10.852
bonds (distance) P-C4' energy: -14.425
flat angles C4'-P-C4' energy: -15.701
flat angles P-C4'-P energy: -6.460
tors. eta vs tors. theta energy: -7.211
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 202
Temperature: 0.900000
Total energy: -329.910272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.910272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.910272 (E_RNA)
where:
Base-Base interactions energy: -245.402
where: short stacking energy: -94.415
Base-Backbone interact. energy: -0.809
local terms energy: -83.699007
where:
bonds (distance) C4'-P energy: -14.790
bonds (distance) P-C4' energy: -19.213
flat angles C4'-P-C4' energy: -17.875
flat angles P-C4'-P energy: -11.440
tors. eta vs tors. theta energy: -20.381
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 202
Temperature: 0.950000
Total energy: -305.322864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.322864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.322864 (E_RNA)
where:
Base-Base interactions energy: -211.520
where: short stacking energy: -89.672
Base-Backbone interact. energy: -0.082
local terms energy: -93.721322
where:
bonds (distance) C4'-P energy: -18.369
bonds (distance) P-C4' energy: -18.645
flat angles C4'-P-C4' energy: -20.342
flat angles P-C4'-P energy: -15.409
tors. eta vs tors. theta energy: -20.956
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 202
Temperature: 1.000000
Total energy: -298.596041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.596041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.596041 (E_RNA)
where:
Base-Base interactions energy: -209.269
where: short stacking energy: -93.868
Base-Backbone interact. energy: -0.098
local terms energy: -89.229157
where:
bonds (distance) C4'-P energy: -13.998
bonds (distance) P-C4' energy: -16.778
flat angles C4'-P-C4' energy: -18.401
flat angles P-C4'-P energy: -12.869
tors. eta vs tors. theta energy: -27.183
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 202
Temperature: 1.050000
Total energy: -238.603861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.603861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.603861 (E_RNA)
where:
Base-Base interactions energy: -147.855
where: short stacking energy: -76.642
Base-Backbone interact. energy: -0.296
local terms energy: -90.452870
where:
bonds (distance) C4'-P energy: -19.120
bonds (distance) P-C4' energy: -20.566
flat angles C4'-P-C4' energy: -17.720
flat angles P-C4'-P energy: -13.120
tors. eta vs tors. theta energy: -19.928
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 202
Temperature: 1.100000
Total energy: -233.289493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.289493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.289493 (E_RNA)
where:
Base-Base interactions energy: -152.537
where: short stacking energy: -71.462
Base-Backbone interact. energy: -0.337
local terms energy: -80.415436
where:
bonds (distance) C4'-P energy: -18.301
bonds (distance) P-C4' energy: -16.434
flat angles C4'-P-C4' energy: -21.768
flat angles P-C4'-P energy: -9.948
tors. eta vs tors. theta energy: -13.965
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 202
Temperature: 1.150000
Total energy: -241.533874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.533874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.533874 (E_RNA)
where:
Base-Base interactions energy: -157.145
where: short stacking energy: -72.870
Base-Backbone interact. energy: -0.028
local terms energy: -84.360314
where:
bonds (distance) C4'-P energy: -18.264
bonds (distance) P-C4' energy: -18.131
flat angles C4'-P-C4' energy: -21.195
flat angles P-C4'-P energy: -9.233
tors. eta vs tors. theta energy: -17.537
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 202
Temperature: 1.200000
Total energy: -229.015874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.015874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.015874 (E_RNA)
where:
Base-Base interactions energy: -142.386
where: short stacking energy: -73.852
Base-Backbone interact. energy: 0.522
local terms energy: -87.152372
where:
bonds (distance) C4'-P energy: -15.424
bonds (distance) P-C4' energy: -20.651
flat angles C4'-P-C4' energy: -18.036
flat angles P-C4'-P energy: -14.034
tors. eta vs tors. theta energy: -19.007
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 202
Temperature: 1.250000
Total energy: -219.646377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.646377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.646377 (E_RNA)
where:
Base-Base interactions energy: -141.740
where: short stacking energy: -64.772
Base-Backbone interact. energy: 0.096
local terms energy: -78.002577
where:
bonds (distance) C4'-P energy: -13.912
bonds (distance) P-C4' energy: -16.475
flat angles C4'-P-C4' energy: -20.107
flat angles P-C4'-P energy: -8.957
tors. eta vs tors. theta energy: -18.552
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 202
Temperature: 1.300000
Total energy: -171.880801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.880801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.880801 (E_RNA)
where:
Base-Base interactions energy: -100.410
where: short stacking energy: -53.074
Base-Backbone interact. energy: -0.422
local terms energy: -71.048975
where:
bonds (distance) C4'-P energy: -11.072
bonds (distance) P-C4' energy: -18.266
flat angles C4'-P-C4' energy: -19.601
flat angles P-C4'-P energy: -13.319
tors. eta vs tors. theta energy: -8.791
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 202
Temperature: 1.350000
Total energy: -116.806058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.806058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.806058 (E_RNA)
where:
Base-Base interactions energy: -43.886
where: short stacking energy: -42.745
Base-Backbone interact. energy: 0.611
local terms energy: -73.531284
where:
bonds (distance) C4'-P energy: -19.137
bonds (distance) P-C4' energy: -20.431
flat angles C4'-P-C4' energy: -15.909
flat angles P-C4'-P energy: -10.444
tors. eta vs tors. theta energy: -7.611
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 203
Temperature: 0.900000
Total energy: -331.910742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.910742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.910742 (E_RNA)
where:
Base-Base interactions energy: -236.258
where: short stacking energy: -101.058
Base-Backbone interact. energy: -1.037
local terms energy: -94.615817
where:
bonds (distance) C4'-P energy: -17.528
bonds (distance) P-C4' energy: -18.424
flat angles C4'-P-C4' energy: -22.846
flat angles P-C4'-P energy: -9.339
tors. eta vs tors. theta energy: -26.478
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 203
Temperature: 0.950000
Total energy: -301.928058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.928058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.928058 (E_RNA)
where:
Base-Base interactions energy: -199.977
where: short stacking energy: -94.839
Base-Backbone interact. energy: 0.862
local terms energy: -102.813616
where:
bonds (distance) C4'-P energy: -18.238
bonds (distance) P-C4' energy: -21.964
flat angles C4'-P-C4' energy: -21.096
flat angles P-C4'-P energy: -16.332
tors. eta vs tors. theta energy: -25.184
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 203
Temperature: 1.000000
Total energy: -293.381425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.381425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.381425 (E_RNA)
where:
Base-Base interactions energy: -202.482
where: short stacking energy: -84.834
Base-Backbone interact. energy: -0.131
local terms energy: -90.768052
where:
bonds (distance) C4'-P energy: -18.777
bonds (distance) P-C4' energy: -20.218
flat angles C4'-P-C4' energy: -18.981
flat angles P-C4'-P energy: -14.979
tors. eta vs tors. theta energy: -17.813
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 203
Temperature: 1.050000
Total energy: -244.918465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.918465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.918465 (E_RNA)
where:
Base-Base interactions energy: -158.646
where: short stacking energy: -70.254
Base-Backbone interact. energy: -0.514
local terms energy: -85.758471
where:
bonds (distance) C4'-P energy: -20.918
bonds (distance) P-C4' energy: -19.424
flat angles C4'-P-C4' energy: -17.362
flat angles P-C4'-P energy: -8.604
tors. eta vs tors. theta energy: -19.450
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 203
Temperature: 1.100000
Total energy: -228.688564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.688564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.688564 (E_RNA)
where:
Base-Base interactions energy: -144.809
where: short stacking energy: -69.382
Base-Backbone interact. energy: -0.156
local terms energy: -83.723496
where:
bonds (distance) C4'-P energy: -19.421
bonds (distance) P-C4' energy: -21.747
flat angles C4'-P-C4' energy: -15.800
flat angles P-C4'-P energy: -12.927
tors. eta vs tors. theta energy: -13.829
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 203
Temperature: 1.150000
Total energy: -228.373106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.373106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.373106 (E_RNA)
where:
Base-Base interactions energy: -157.323
where: short stacking energy: -69.758
Base-Backbone interact. energy: -0.091
local terms energy: -70.959178
where:
bonds (distance) C4'-P energy: -14.011
bonds (distance) P-C4' energy: -17.443
flat angles C4'-P-C4' energy: -17.013
flat angles P-C4'-P energy: -10.130
tors. eta vs tors. theta energy: -12.362
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 203
Temperature: 1.200000
Total energy: -249.445185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.445185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.445185 (E_RNA)
where:
Base-Base interactions energy: -178.597
where: short stacking energy: -66.733
Base-Backbone interact. energy: -0.010
local terms energy: -70.837700
where:
bonds (distance) C4'-P energy: -13.120
bonds (distance) P-C4' energy: -15.086
flat angles C4'-P-C4' energy: -15.243
flat angles P-C4'-P energy: -8.649
tors. eta vs tors. theta energy: -18.741
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 203
Temperature: 1.250000
Total energy: -211.278661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.278661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.278661 (E_RNA)
where:
Base-Base interactions energy: -140.762
where: short stacking energy: -71.464
Base-Backbone interact. energy: -0.067
local terms energy: -70.449793
where:
bonds (distance) C4'-P energy: -12.624
bonds (distance) P-C4' energy: -20.690
flat angles C4'-P-C4' energy: -10.124
flat angles P-C4'-P energy: -9.616
tors. eta vs tors. theta energy: -17.396
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 203
Temperature: 1.300000
Total energy: -183.434049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.434049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.434049 (E_RNA)
where:
Base-Base interactions energy: -106.998
where: short stacking energy: -52.342
Base-Backbone interact. energy: -0.658
local terms energy: -75.778906
where:
bonds (distance) C4'-P energy: -14.647
bonds (distance) P-C4' energy: -18.587
flat angles C4'-P-C4' energy: -15.611
flat angles P-C4'-P energy: -14.165
tors. eta vs tors. theta energy: -12.768
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 203
Temperature: 1.350000
Total energy: -104.736244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.736244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.736244 (E_RNA)
where:
Base-Base interactions energy: -44.397
where: short stacking energy: -34.955
Base-Backbone interact. energy: -0.228
local terms energy: -60.111419
where:
bonds (distance) C4'-P energy: -18.453
bonds (distance) P-C4' energy: -15.663
flat angles C4'-P-C4' energy: -17.339
flat angles P-C4'-P energy: -6.321
tors. eta vs tors. theta energy: -2.335
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 204
Temperature: 0.900000
Total energy: -342.610737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.610737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.610737 (E_RNA)
where:
Base-Base interactions energy: -242.909
where: short stacking energy: -99.300
Base-Backbone interact. energy: -0.139
local terms energy: -99.562884
where:
bonds (distance) C4'-P energy: -19.952
bonds (distance) P-C4' energy: -18.912
flat angles C4'-P-C4' energy: -21.630
flat angles P-C4'-P energy: -11.155
tors. eta vs tors. theta energy: -27.913
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 204
Temperature: 0.950000
Total energy: -304.183876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.183876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.183876 (E_RNA)
where:
Base-Base interactions energy: -196.693
where: short stacking energy: -91.524
Base-Backbone interact. energy: 0.861
local terms energy: -108.351275
where:
bonds (distance) C4'-P energy: -19.273
bonds (distance) P-C4' energy: -24.931
flat angles C4'-P-C4' energy: -20.403
flat angles P-C4'-P energy: -14.848
tors. eta vs tors. theta energy: -28.896
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 204
Temperature: 1.000000
Total energy: -301.753827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.753827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.753827 (E_RNA)
where:
Base-Base interactions energy: -212.979
where: short stacking energy: -83.719
Base-Backbone interact. energy: -0.475
local terms energy: -88.299713
where:
bonds (distance) C4'-P energy: -19.995
bonds (distance) P-C4' energy: -18.254
flat angles C4'-P-C4' energy: -19.587
flat angles P-C4'-P energy: -10.670
tors. eta vs tors. theta energy: -19.795
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 204
Temperature: 1.050000
Total energy: -240.172047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.172047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.172047 (E_RNA)
where:
Base-Base interactions energy: -150.224
where: short stacking energy: -79.214
Base-Backbone interact. energy: -1.174
local terms energy: -88.773711
where:
bonds (distance) C4'-P energy: -19.541
bonds (distance) P-C4' energy: -18.125
flat angles C4'-P-C4' energy: -19.343
flat angles P-C4'-P energy: -13.610
tors. eta vs tors. theta energy: -18.155
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 204
Temperature: 1.100000
Total energy: -238.467011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.467011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.467011 (E_RNA)
where:
Base-Base interactions energy: -146.109
where: short stacking energy: -69.357
Base-Backbone interact. energy: -0.025
local terms energy: -92.333634
where:
bonds (distance) C4'-P energy: -18.221
bonds (distance) P-C4' energy: -16.449
flat angles C4'-P-C4' energy: -20.706
flat angles P-C4'-P energy: -15.058
tors. eta vs tors. theta energy: -21.899
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 204
Temperature: 1.150000
Total energy: -221.255833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.255833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.255833 (E_RNA)
where:
Base-Base interactions energy: -138.705
where: short stacking energy: -63.631
Base-Backbone interact. energy: -0.195
local terms energy: -82.355742
where:
bonds (distance) C4'-P energy: -15.240
bonds (distance) P-C4' energy: -21.222
flat angles C4'-P-C4' energy: -18.604
flat angles P-C4'-P energy: -16.803
tors. eta vs tors. theta energy: -10.487
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 204
Temperature: 1.200000
Total energy: -254.946797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.946797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.946797 (E_RNA)
where:
Base-Base interactions energy: -176.486
where: short stacking energy: -77.057
Base-Backbone interact. energy: -0.277
local terms energy: -78.184225
where:
bonds (distance) C4'-P energy: -15.749
bonds (distance) P-C4' energy: -17.445
flat angles C4'-P-C4' energy: -17.962
flat angles P-C4'-P energy: -7.413
tors. eta vs tors. theta energy: -19.615
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 204
Temperature: 1.250000
Total energy: -205.893861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.893861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.893861 (E_RNA)
where:
Base-Base interactions energy: -123.760
where: short stacking energy: -59.465
Base-Backbone interact. energy: -0.514
local terms energy: -81.619363
where:
bonds (distance) C4'-P energy: -18.312
bonds (distance) P-C4' energy: -15.030
flat angles C4'-P-C4' energy: -21.599
flat angles P-C4'-P energy: -13.644
tors. eta vs tors. theta energy: -13.035
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 204
Temperature: 1.300000
Total energy: -191.410068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.410068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.410068 (E_RNA)
where:
Base-Base interactions energy: -116.629
where: short stacking energy: -57.315
Base-Backbone interact. energy: -0.631
local terms energy: -74.149574
where:
bonds (distance) C4'-P energy: -14.864
bonds (distance) P-C4' energy: -20.865
flat angles C4'-P-C4' energy: -19.267
flat angles P-C4'-P energy: -6.649
tors. eta vs tors. theta energy: -12.504
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 204
Temperature: 1.350000
Total energy: -108.430445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.430445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.430445 (E_RNA)
where:
Base-Base interactions energy: -41.302
where: short stacking energy: -40.627
Base-Backbone interact. energy: -1.128
local terms energy: -66.000484
where:
bonds (distance) C4'-P energy: -17.303
bonds (distance) P-C4' energy: -17.832
flat angles C4'-P-C4' energy: -17.498
flat angles P-C4'-P energy: -11.017
tors. eta vs tors. theta energy: -2.350
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 205
Temperature: 0.900000
Total energy: -346.889287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.889287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.889287 (E_RNA)
where:
Base-Base interactions energy: -253.724
where: short stacking energy: -108.216
Base-Backbone interact. energy: 0.143
local terms energy: -93.307763
where:
bonds (distance) C4'-P energy: -12.214
bonds (distance) P-C4' energy: -17.683
flat angles C4'-P-C4' energy: -21.866
flat angles P-C4'-P energy: -14.976
tors. eta vs tors. theta energy: -26.568
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 205
Temperature: 0.950000
Total energy: -314.097793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.097793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.097793 (E_RNA)
where:
Base-Base interactions energy: -215.594
where: short stacking energy: -92.717
Base-Backbone interact. energy: -0.521
local terms energy: -97.982797
where:
bonds (distance) C4'-P energy: -19.134
bonds (distance) P-C4' energy: -18.495
flat angles C4'-P-C4' energy: -21.219
flat angles P-C4'-P energy: -11.223
tors. eta vs tors. theta energy: -27.911
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 205
Temperature: 1.000000
Total energy: -273.936905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.936905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.936905 (E_RNA)
where:
Base-Base interactions energy: -188.752
where: short stacking energy: -72.943
Base-Backbone interact. energy: 1.409
local terms energy: -86.593568
where:
bonds (distance) C4'-P energy: -22.377
bonds (distance) P-C4' energy: -18.281
flat angles C4'-P-C4' energy: -18.369
flat angles P-C4'-P energy: -13.047
tors. eta vs tors. theta energy: -14.520
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 205
Temperature: 1.050000
Total energy: -248.493403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.493403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.493403 (E_RNA)
where:
Base-Base interactions energy: -165.566
where: short stacking energy: -78.724
Base-Backbone interact. energy: -0.439
local terms energy: -82.488586
where:
bonds (distance) C4'-P energy: -19.429
bonds (distance) P-C4' energy: -18.158
flat angles C4'-P-C4' energy: -18.620
flat angles P-C4'-P energy: -8.844
tors. eta vs tors. theta energy: -17.436
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 205
Temperature: 1.100000
Total energy: -239.146780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.146780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.146780 (E_RNA)
where:
Base-Base interactions energy: -157.524
where: short stacking energy: -80.524
Base-Backbone interact. energy: -0.220
local terms energy: -81.402238
where:
bonds (distance) C4'-P energy: -16.225
bonds (distance) P-C4' energy: -21.045
flat angles C4'-P-C4' energy: -17.507
flat angles P-C4'-P energy: -13.632
tors. eta vs tors. theta energy: -12.993
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 205
Temperature: 1.150000
Total energy: -245.572634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.572634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.572634 (E_RNA)
where:
Base-Base interactions energy: -158.658
where: short stacking energy: -73.788
Base-Backbone interact. energy: -0.039
local terms energy: -86.876413
where:
bonds (distance) C4'-P energy: -18.076
bonds (distance) P-C4' energy: -18.455
flat angles C4'-P-C4' energy: -21.284
flat angles P-C4'-P energy: -11.805
tors. eta vs tors. theta energy: -17.256
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 205
Temperature: 1.200000
Total energy: -219.545345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.545345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.545345 (E_RNA)
where:
Base-Base interactions energy: -132.543
where: short stacking energy: -67.155
Base-Backbone interact. energy: -0.461
local terms energy: -86.541864
where:
bonds (distance) C4'-P energy: -20.049
bonds (distance) P-C4' energy: -19.952
flat angles C4'-P-C4' energy: -16.801
flat angles P-C4'-P energy: -14.604
tors. eta vs tors. theta energy: -15.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 205
Temperature: 1.250000
Total energy: -195.343657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.343657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.343657 (E_RNA)
where:
Base-Base interactions energy: -116.492
where: short stacking energy: -53.717
Base-Backbone interact. energy: 2.904
local terms energy: -81.755284
where:
bonds (distance) C4'-P energy: -19.206
bonds (distance) P-C4' energy: -18.884
flat angles C4'-P-C4' energy: -18.223
flat angles P-C4'-P energy: -15.772
tors. eta vs tors. theta energy: -9.671
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 205
Temperature: 1.300000
Total energy: -226.319899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.319899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.319899 (E_RNA)
where:
Base-Base interactions energy: -153.681
where: short stacking energy: -79.444
Base-Backbone interact. energy: -0.907
local terms energy: -71.731805
where:
bonds (distance) C4'-P energy: -19.301
bonds (distance) P-C4' energy: -12.414
flat angles C4'-P-C4' energy: -16.822
flat angles P-C4'-P energy: -6.060
tors. eta vs tors. theta energy: -17.135
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 205
Temperature: 1.350000
Total energy: -109.161904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.161904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.161904 (E_RNA)
where:
Base-Base interactions energy: -50.197
where: short stacking energy: -44.683
Base-Backbone interact. energy: -0.230
local terms energy: -58.735179
where:
bonds (distance) C4'-P energy: -14.765
bonds (distance) P-C4' energy: -17.693
flat angles C4'-P-C4' energy: -15.134
flat angles P-C4'-P energy: -8.430
tors. eta vs tors. theta energy: -2.713
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 206
Temperature: 0.900000
Total energy: -345.230288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.230288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.230288 (E_RNA)
where:
Base-Base interactions energy: -247.506
where: short stacking energy: -104.152
Base-Backbone interact. energy: -0.406
local terms energy: -97.318186
where:
bonds (distance) C4'-P energy: -21.806
bonds (distance) P-C4' energy: -20.223
flat angles C4'-P-C4' energy: -15.302
flat angles P-C4'-P energy: -14.644
tors. eta vs tors. theta energy: -25.344
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 206
Temperature: 0.950000
Total energy: -306.863933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.863933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.863933 (E_RNA)
where:
Base-Base interactions energy: -213.342
where: short stacking energy: -95.702
Base-Backbone interact. energy: -0.916
local terms energy: -92.605981
where:
bonds (distance) C4'-P energy: -14.313
bonds (distance) P-C4' energy: -17.724
flat angles C4'-P-C4' energy: -20.447
flat angles P-C4'-P energy: -13.647
tors. eta vs tors. theta energy: -26.474
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 206
Temperature: 1.000000
Total energy: -252.178066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.178066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.178066 (E_RNA)
where:
Base-Base interactions energy: -156.634
where: short stacking energy: -81.445
Base-Backbone interact. energy: -0.826
local terms energy: -94.718330
where:
bonds (distance) C4'-P energy: -18.822
bonds (distance) P-C4' energy: -18.212
flat angles C4'-P-C4' energy: -18.462
flat angles P-C4'-P energy: -14.938
tors. eta vs tors. theta energy: -24.284
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 206
Temperature: 1.050000
Total energy: -274.787386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.787386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.787386 (E_RNA)
where:
Base-Base interactions energy: -186.235
where: short stacking energy: -88.386
Base-Backbone interact. energy: -0.084
local terms energy: -88.468219
where:
bonds (distance) C4'-P energy: -11.675
bonds (distance) P-C4' energy: -21.220
flat angles C4'-P-C4' energy: -18.756
flat angles P-C4'-P energy: -11.247
tors. eta vs tors. theta energy: -25.570
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 206
Temperature: 1.100000
Total energy: -243.001675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.001675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.001675 (E_RNA)
where:
Base-Base interactions energy: -157.327
where: short stacking energy: -80.145
Base-Backbone interact. energy: -0.031
local terms energy: -85.643186
where:
bonds (distance) C4'-P energy: -14.004
bonds (distance) P-C4' energy: -21.330
flat angles C4'-P-C4' energy: -17.998
flat angles P-C4'-P energy: -12.884
tors. eta vs tors. theta energy: -19.427
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 206
Temperature: 1.150000
Total energy: -238.082335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.082335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.082335 (E_RNA)
where:
Base-Base interactions energy: -154.442
where: short stacking energy: -69.794
Base-Backbone interact. energy: -0.007
local terms energy: -83.633005
where:
bonds (distance) C4'-P energy: -20.150
bonds (distance) P-C4' energy: -18.752
flat angles C4'-P-C4' energy: -19.362
flat angles P-C4'-P energy: -10.727
tors. eta vs tors. theta energy: -14.643
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 206
Temperature: 1.200000
Total energy: -197.384352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.384352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.384352 (E_RNA)
where:
Base-Base interactions energy: -128.914
where: short stacking energy: -58.127
Base-Backbone interact. energy: 1.464
local terms energy: -69.934545
where:
bonds (distance) C4'-P energy: -14.002
bonds (distance) P-C4' energy: -18.013
flat angles C4'-P-C4' energy: -20.376
flat angles P-C4'-P energy: -6.400
tors. eta vs tors. theta energy: -11.144
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 206
Temperature: 1.250000
Total energy: -225.784785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.784785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.784785 (E_RNA)
where:
Base-Base interactions energy: -163.254
where: short stacking energy: -65.135
Base-Backbone interact. energy: -0.162
local terms energy: -62.368995
where:
bonds (distance) C4'-P energy: -13.714
bonds (distance) P-C4' energy: -14.524
flat angles C4'-P-C4' energy: -16.222
flat angles P-C4'-P energy: -9.994
tors. eta vs tors. theta energy: -7.915
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 206
Temperature: 1.300000
Total energy: -210.697189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.697189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.697189 (E_RNA)
where:
Base-Base interactions energy: -123.555
where: short stacking energy: -59.330
Base-Backbone interact. energy: 0.034
local terms energy: -87.175716
where:
bonds (distance) C4'-P energy: -19.330
bonds (distance) P-C4' energy: -19.912
flat angles C4'-P-C4' energy: -18.785
flat angles P-C4'-P energy: -12.936
tors. eta vs tors. theta energy: -16.213
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 206
Temperature: 1.350000
Total energy: -100.196673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.196673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.196673 (E_RNA)
where:
Base-Base interactions energy: -38.134
where: short stacking energy: -37.326
Base-Backbone interact. energy: -0.184
local terms energy: -61.879068
where:
bonds (distance) C4'-P energy: -15.120
bonds (distance) P-C4' energy: -18.456
flat angles C4'-P-C4' energy: -14.952
flat angles P-C4'-P energy: -10.130
tors. eta vs tors. theta energy: -3.221
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 207
Temperature: 0.900000
Total energy: -340.384796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.384796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.384796 (E_RNA)
where:
Base-Base interactions energy: -238.079
where: short stacking energy: -98.952
Base-Backbone interact. energy: -0.522
local terms energy: -101.783535
where:
bonds (distance) C4'-P energy: -15.925
bonds (distance) P-C4' energy: -22.173
flat angles C4'-P-C4' energy: -23.551
flat angles P-C4'-P energy: -14.416
tors. eta vs tors. theta energy: -25.719
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 207
Temperature: 0.950000
Total energy: -303.309820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.309820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.309820 (E_RNA)
where:
Base-Base interactions energy: -200.488
where: short stacking energy: -96.397
Base-Backbone interact. energy: -0.005
local terms energy: -102.816926
where:
bonds (distance) C4'-P energy: -22.204
bonds (distance) P-C4' energy: -19.251
flat angles C4'-P-C4' energy: -22.489
flat angles P-C4'-P energy: -9.912
tors. eta vs tors. theta energy: -28.961
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 207
Temperature: 1.000000
Total energy: -271.388497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.388497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.388497 (E_RNA)
where:
Base-Base interactions energy: -175.774
where: short stacking energy: -95.758
Base-Backbone interact. energy: 0.596
local terms energy: -96.210228
where:
bonds (distance) C4'-P energy: -20.556
bonds (distance) P-C4' energy: -19.932
flat angles C4'-P-C4' energy: -17.762
flat angles P-C4'-P energy: -12.714
tors. eta vs tors. theta energy: -25.246
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 207
Temperature: 1.050000
Total energy: -238.418400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.418400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.418400 (E_RNA)
where:
Base-Base interactions energy: -148.980
where: short stacking energy: -65.862
Base-Backbone interact. energy: -1.312
local terms energy: -88.126613
where:
bonds (distance) C4'-P energy: -18.125
bonds (distance) P-C4' energy: -22.299
flat angles C4'-P-C4' energy: -15.298
flat angles P-C4'-P energy: -14.227
tors. eta vs tors. theta energy: -18.178
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 207
Temperature: 1.100000
Total energy: -257.565301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.565301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.565301 (E_RNA)
where:
Base-Base interactions energy: -168.863
where: short stacking energy: -81.460
Base-Backbone interact. energy: -0.250
local terms energy: -88.452223
where:
bonds (distance) C4'-P energy: -18.540
bonds (distance) P-C4' energy: -17.306
flat angles C4'-P-C4' energy: -17.110
flat angles P-C4'-P energy: -16.180
tors. eta vs tors. theta energy: -19.317
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 207
Temperature: 1.150000
Total energy: -229.653228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.653228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.653228 (E_RNA)
where:
Base-Base interactions energy: -146.441
where: short stacking energy: -72.461
Base-Backbone interact. energy: -0.093
local terms energy: -83.119181
where:
bonds (distance) C4'-P energy: -18.946
bonds (distance) P-C4' energy: -15.995
flat angles C4'-P-C4' energy: -18.346
flat angles P-C4'-P energy: -10.900
tors. eta vs tors. theta energy: -18.932
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 207
Temperature: 1.200000
Total energy: -200.168419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.168419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.168419 (E_RNA)
where:
Base-Base interactions energy: -135.648
where: short stacking energy: -57.055
Base-Backbone interact. energy: -0.771
local terms energy: -63.750149
where:
bonds (distance) C4'-P energy: -18.217
bonds (distance) P-C4' energy: -18.560
flat angles C4'-P-C4' energy: -17.063
flat angles P-C4'-P energy: -7.440
tors. eta vs tors. theta energy: -2.470
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 207
Temperature: 1.250000
Total energy: -198.011962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.011962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.011962 (E_RNA)
where:
Base-Base interactions energy: -130.674
where: short stacking energy: -70.349
Base-Backbone interact. energy: -0.811
local terms energy: -66.526369
where:
bonds (distance) C4'-P energy: -11.035
bonds (distance) P-C4' energy: -11.485
flat angles C4'-P-C4' energy: -18.967
flat angles P-C4'-P energy: -11.612
tors. eta vs tors. theta energy: -13.427
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 207
Temperature: 1.300000
Total energy: -220.878727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.878727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.878727 (E_RNA)
where:
Base-Base interactions energy: -145.230
where: short stacking energy: -63.546
Base-Backbone interact. energy: -0.121
local terms energy: -75.527762
where:
bonds (distance) C4'-P energy: -10.815
bonds (distance) P-C4' energy: -21.290
flat angles C4'-P-C4' energy: -19.735
flat angles P-C4'-P energy: -8.426
tors. eta vs tors. theta energy: -15.261
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 207
Temperature: 1.350000
Total energy: -102.634527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.634527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.634527 (E_RNA)
where:
Base-Base interactions energy: -37.552
where: short stacking energy: -32.260
Base-Backbone interact. energy: -0.642
local terms energy: -64.440553
where:
bonds (distance) C4'-P energy: -17.809
bonds (distance) P-C4' energy: -16.099
flat angles C4'-P-C4' energy: -17.575
flat angles P-C4'-P energy: -13.105
tors. eta vs tors. theta energy: 0.148
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 208
Temperature: 0.900000
Total energy: -346.401783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.401783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.401783 (E_RNA)
where:
Base-Base interactions energy: -262.556
where: short stacking energy: -95.282
Base-Backbone interact. energy: 1.294
local terms energy: -85.139562
where:
bonds (distance) C4'-P energy: -12.262
bonds (distance) P-C4' energy: -19.566
flat angles C4'-P-C4' energy: -19.978
flat angles P-C4'-P energy: -10.080
tors. eta vs tors. theta energy: -23.253
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 208
Temperature: 0.950000
Total energy: -303.238819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.238819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.238819 (E_RNA)
where:
Base-Base interactions energy: -207.838
where: short stacking energy: -99.059
Base-Backbone interact. energy: -0.440
local terms energy: -94.960042
where:
bonds (distance) C4'-P energy: -18.506
bonds (distance) P-C4' energy: -18.007
flat angles C4'-P-C4' energy: -18.967
flat angles P-C4'-P energy: -17.800
tors. eta vs tors. theta energy: -21.679
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 208
Temperature: 1.000000
Total energy: -250.457116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.457116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.457116 (E_RNA)
where:
Base-Base interactions energy: -160.023
where: short stacking energy: -80.606
Base-Backbone interact. energy: -0.030
local terms energy: -90.403810
where:
bonds (distance) C4'-P energy: -20.344
bonds (distance) P-C4' energy: -18.041
flat angles C4'-P-C4' energy: -22.007
flat angles P-C4'-P energy: -13.021
tors. eta vs tors. theta energy: -16.991
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 208
Temperature: 1.050000
Total energy: -243.723759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.723759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.723759 (E_RNA)
where:
Base-Base interactions energy: -144.474
where: short stacking energy: -77.036
Base-Backbone interact. energy: -0.721
local terms energy: -98.527965
where:
bonds (distance) C4'-P energy: -20.651
bonds (distance) P-C4' energy: -19.488
flat angles C4'-P-C4' energy: -18.941
flat angles P-C4'-P energy: -15.924
tors. eta vs tors. theta energy: -23.525
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 208
Temperature: 1.100000
Total energy: -255.164643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.164643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.164643 (E_RNA)
where:
Base-Base interactions energy: -176.648
where: short stacking energy: -80.148
Base-Backbone interact. energy: -0.260
local terms energy: -78.257325
where:
bonds (distance) C4'-P energy: -16.502
bonds (distance) P-C4' energy: -14.309
flat angles C4'-P-C4' energy: -15.515
flat angles P-C4'-P energy: -13.569
tors. eta vs tors. theta energy: -18.362
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 208
Temperature: 1.150000
Total energy: -233.676883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.676883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.676883 (E_RNA)
where:
Base-Base interactions energy: -145.321
where: short stacking energy: -71.606
Base-Backbone interact. energy: -0.307
local terms energy: -88.049185
where:
bonds (distance) C4'-P energy: -18.631
bonds (distance) P-C4' energy: -17.647
flat angles C4'-P-C4' energy: -18.145
flat angles P-C4'-P energy: -15.746
tors. eta vs tors. theta energy: -17.880
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 208
Temperature: 1.200000
Total energy: -198.398057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.398057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.398057 (E_RNA)
where:
Base-Base interactions energy: -128.001
where: short stacking energy: -65.720
Base-Backbone interact. energy: -0.642
local terms energy: -69.755063
where:
bonds (distance) C4'-P energy: -15.104
bonds (distance) P-C4' energy: -15.141
flat angles C4'-P-C4' energy: -14.687
flat angles P-C4'-P energy: -11.911
tors. eta vs tors. theta energy: -12.913
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 208
Temperature: 1.250000
Total energy: -188.682046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.682046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.682046 (E_RNA)
where:
Base-Base interactions energy: -114.609
where: short stacking energy: -52.621
Base-Backbone interact. energy: -0.005
local terms energy: -74.067472
where:
bonds (distance) C4'-P energy: -18.120
bonds (distance) P-C4' energy: -17.192
flat angles C4'-P-C4' energy: -16.945
flat angles P-C4'-P energy: -15.168
tors. eta vs tors. theta energy: -6.642
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 208
Temperature: 1.300000
Total energy: -219.959965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.959965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.959965 (E_RNA)
where:
Base-Base interactions energy: -143.891
where: short stacking energy: -68.208
Base-Backbone interact. energy: -0.119
local terms energy: -75.950374
where:
bonds (distance) C4'-P energy: -17.522
bonds (distance) P-C4' energy: -17.342
flat angles C4'-P-C4' energy: -15.331
flat angles P-C4'-P energy: -12.171
tors. eta vs tors. theta energy: -13.584
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 208
Temperature: 1.350000
Total energy: -108.590851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.590851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.590851 (E_RNA)
where:
Base-Base interactions energy: -53.309
where: short stacking energy: -42.232
Base-Backbone interact. energy: -0.422
local terms energy: -54.860404
where:
bonds (distance) C4'-P energy: -16.337
bonds (distance) P-C4' energy: -18.054
flat angles C4'-P-C4' energy: -13.119
flat angles P-C4'-P energy: -7.081
tors. eta vs tors. theta energy: -0.269
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 209
Temperature: 0.900000
Total energy: -350.578393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.578393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.578393 (E_RNA)
where:
Base-Base interactions energy: -250.271
where: short stacking energy: -98.492
Base-Backbone interact. energy: -0.370
local terms energy: -99.937874
where:
bonds (distance) C4'-P energy: -20.771
bonds (distance) P-C4' energy: -22.342
flat angles C4'-P-C4' energy: -18.378
flat angles P-C4'-P energy: -14.282
tors. eta vs tors. theta energy: -24.165
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 209
Temperature: 0.950000
Total energy: -302.028595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.028595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.028595 (E_RNA)
where:
Base-Base interactions energy: -203.943
where: short stacking energy: -100.200
Base-Backbone interact. energy: -0.632
local terms energy: -97.453802
where:
bonds (distance) C4'-P energy: -19.953
bonds (distance) P-C4' energy: -20.489
flat angles C4'-P-C4' energy: -16.874
flat angles P-C4'-P energy: -11.928
tors. eta vs tors. theta energy: -28.209
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 209
Temperature: 1.000000
Total energy: -253.473412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.473412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.473412 (E_RNA)
where:
Base-Base interactions energy: -164.714
where: short stacking energy: -85.267
Base-Backbone interact. energy: -1.340
local terms energy: -87.419016
where:
bonds (distance) C4'-P energy: -17.162
bonds (distance) P-C4' energy: -17.039
flat angles C4'-P-C4' energy: -20.409
flat angles P-C4'-P energy: -13.906
tors. eta vs tors. theta energy: -18.902
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 209
Temperature: 1.050000
Total energy: -275.442361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.442361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.442361 (E_RNA)
where:
Base-Base interactions energy: -188.845
where: short stacking energy: -79.756
Base-Backbone interact. energy: 0.541
local terms energy: -87.138618
where:
bonds (distance) C4'-P energy: -18.332
bonds (distance) P-C4' energy: -22.172
flat angles C4'-P-C4' energy: -17.502
flat angles P-C4'-P energy: -11.429
tors. eta vs tors. theta energy: -17.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 209
Temperature: 1.100000
Total energy: -252.703247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.703247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.703247 (E_RNA)
where:
Base-Base interactions energy: -167.946
where: short stacking energy: -91.315
Base-Backbone interact. energy: 1.846
local terms energy: -86.602767
where:
bonds (distance) C4'-P energy: -9.581
bonds (distance) P-C4' energy: -22.279
flat angles C4'-P-C4' energy: -16.613
flat angles P-C4'-P energy: -13.026
tors. eta vs tors. theta energy: -25.104
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 209
Temperature: 1.150000
Total energy: -246.461821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.461821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.461821 (E_RNA)
where:
Base-Base interactions energy: -152.667
where: short stacking energy: -77.688
Base-Backbone interact. energy: -0.109
local terms energy: -93.685550
where:
bonds (distance) C4'-P energy: -14.373
bonds (distance) P-C4' energy: -20.896
flat angles C4'-P-C4' energy: -17.923
flat angles P-C4'-P energy: -17.366
tors. eta vs tors. theta energy: -23.127
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 209
Temperature: 1.200000
Total energy: -200.452472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.452472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.452472 (E_RNA)
where:
Base-Base interactions energy: -117.076
where: short stacking energy: -63.419
Base-Backbone interact. energy: -0.933
local terms energy: -82.443741
where:
bonds (distance) C4'-P energy: -21.422
bonds (distance) P-C4' energy: -14.804
flat angles C4'-P-C4' energy: -19.627
flat angles P-C4'-P energy: -14.000
tors. eta vs tors. theta energy: -12.589
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 209
Temperature: 1.250000
Total energy: -208.720437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.720437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.720437 (E_RNA)
where:
Base-Base interactions energy: -137.442
where: short stacking energy: -50.134
Base-Backbone interact. energy: -0.255
local terms energy: -71.022775
where:
bonds (distance) C4'-P energy: -16.843
bonds (distance) P-C4' energy: -17.326
flat angles C4'-P-C4' energy: -18.086
flat angles P-C4'-P energy: -10.643
tors. eta vs tors. theta energy: -8.124
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 209
Temperature: 1.300000
Total energy: -178.439880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.439880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.439880 (E_RNA)
where:
Base-Base interactions energy: -106.788
where: short stacking energy: -56.470
Base-Backbone interact. energy: -0.473
local terms energy: -71.179045
where:
bonds (distance) C4'-P energy: -14.784
bonds (distance) P-C4' energy: -19.593
flat angles C4'-P-C4' energy: -16.262
flat angles P-C4'-P energy: -11.888
tors. eta vs tors. theta energy: -8.652
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 209
Temperature: 1.350000
Total energy: -104.619911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.619911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.619911 (E_RNA)
where:
Base-Base interactions energy: -47.864
where: short stacking energy: -36.444
Base-Backbone interact. energy: -1.080
local terms energy: -55.676364
where:
bonds (distance) C4'-P energy: -11.831
bonds (distance) P-C4' energy: -16.077
flat angles C4'-P-C4' energy: -17.064
flat angles P-C4'-P energy: -6.578
tors. eta vs tors. theta energy: -4.127
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 210
Temperature: 0.900000
Total energy: -310.333869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.333869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.333869 (E_RNA)
where:
Base-Base interactions energy: -201.401
where: short stacking energy: -97.621
Base-Backbone interact. energy: -1.993
local terms energy: -106.940404
where:
bonds (distance) C4'-P energy: -23.521
bonds (distance) P-C4' energy: -21.072
flat angles C4'-P-C4' energy: -24.218
flat angles P-C4'-P energy: -11.143
tors. eta vs tors. theta energy: -26.987
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 210
Temperature: 0.950000
Total energy: -339.589857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.589857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.589857 (E_RNA)
where:
Base-Base interactions energy: -243.522
where: short stacking energy: -93.421
Base-Backbone interact. energy: -0.181
local terms energy: -95.886541
where:
bonds (distance) C4'-P energy: -19.249
bonds (distance) P-C4' energy: -20.229
flat angles C4'-P-C4' energy: -17.354
flat angles P-C4'-P energy: -13.922
tors. eta vs tors. theta energy: -25.133
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 210
Temperature: 1.000000
Total energy: -280.301724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.301724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.301724 (E_RNA)
where:
Base-Base interactions energy: -190.798
where: short stacking energy: -78.964
Base-Backbone interact. energy: -0.511
local terms energy: -88.992582
where:
bonds (distance) C4'-P energy: -19.583
bonds (distance) P-C4' energy: -19.132
flat angles C4'-P-C4' energy: -19.499
flat angles P-C4'-P energy: -13.357
tors. eta vs tors. theta energy: -17.423
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 210
Temperature: 1.050000
Total energy: -258.749748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.749748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.749748 (E_RNA)
where:
Base-Base interactions energy: -173.585
where: short stacking energy: -80.323
Base-Backbone interact. energy: -0.226
local terms energy: -84.938362
where:
bonds (distance) C4'-P energy: -15.878
bonds (distance) P-C4' energy: -17.580
flat angles C4'-P-C4' energy: -19.016
flat angles P-C4'-P energy: -8.674
tors. eta vs tors. theta energy: -23.790
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 210
Temperature: 1.100000
Total energy: -234.531395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.531395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.531395 (E_RNA)
where:
Base-Base interactions energy: -149.083
where: short stacking energy: -72.148
Base-Backbone interact. energy: -1.321
local terms energy: -84.127916
where:
bonds (distance) C4'-P energy: -12.722
bonds (distance) P-C4' energy: -19.940
flat angles C4'-P-C4' energy: -20.610
flat angles P-C4'-P energy: -13.653
tors. eta vs tors. theta energy: -17.203
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 210
Temperature: 1.150000
Total energy: -230.310252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.310252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.310252 (E_RNA)
where:
Base-Base interactions energy: -145.598
where: short stacking energy: -70.353
Base-Backbone interact. energy: -0.242
local terms energy: -84.470515
where:
bonds (distance) C4'-P energy: -11.543
bonds (distance) P-C4' energy: -18.946
flat angles C4'-P-C4' energy: -19.125
flat angles P-C4'-P energy: -16.464
tors. eta vs tors. theta energy: -18.393
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 210
Temperature: 1.200000
Total energy: -250.261913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.261913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.261913 (E_RNA)
where:
Base-Base interactions energy: -168.955
where: short stacking energy: -76.370
Base-Backbone interact. energy: -0.177
local terms energy: -81.129997
where:
bonds (distance) C4'-P energy: -12.644
bonds (distance) P-C4' energy: -17.925
flat angles C4'-P-C4' energy: -21.462
flat angles P-C4'-P energy: -11.489
tors. eta vs tors. theta energy: -17.609
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 210
Temperature: 1.250000
Total energy: -187.998972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.998972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.998972 (E_RNA)
where:
Base-Base interactions energy: -116.278
where: short stacking energy: -55.060
Base-Backbone interact. energy: -0.055
local terms energy: -71.666303
where:
bonds (distance) C4'-P energy: -18.555
bonds (distance) P-C4' energy: -11.185
flat angles C4'-P-C4' energy: -16.906
flat angles P-C4'-P energy: -10.550
tors. eta vs tors. theta energy: -14.472
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 210
Temperature: 1.300000
Total energy: -187.129435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.129435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.129435 (E_RNA)
where:
Base-Base interactions energy: -114.926
where: short stacking energy: -59.731
Base-Backbone interact. energy: 1.012
local terms energy: -73.215636
where:
bonds (distance) C4'-P energy: -16.883
bonds (distance) P-C4' energy: -14.701
flat angles C4'-P-C4' energy: -14.908
flat angles P-C4'-P energy: -11.036
tors. eta vs tors. theta energy: -15.687
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 210
Temperature: 1.350000
Total energy: -100.358442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.358442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.358442 (E_RNA)
where:
Base-Base interactions energy: -46.136
where: short stacking energy: -39.542
Base-Backbone interact. energy: 1.226
local terms energy: -55.447578
where:
bonds (distance) C4'-P energy: -14.926
bonds (distance) P-C4' energy: -17.805
flat angles C4'-P-C4' energy: -13.977
flat angles P-C4'-P energy: -6.822
tors. eta vs tors. theta energy: -1.917
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 211
Temperature: 0.900000
Total energy: -309.118861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.118861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.118861 (E_RNA)
where:
Base-Base interactions energy: -203.819
where: short stacking energy: -91.125
Base-Backbone interact. energy: -2.147
local terms energy: -103.152889
where:
bonds (distance) C4'-P energy: -18.198
bonds (distance) P-C4' energy: -21.143
flat angles C4'-P-C4' energy: -20.603
flat angles P-C4'-P energy: -15.878
tors. eta vs tors. theta energy: -27.332
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 211
Temperature: 0.950000
Total energy: -341.979120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.979120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.979120 (E_RNA)
where:
Base-Base interactions energy: -244.798
where: short stacking energy: -97.778
Base-Backbone interact. energy: 0.461
local terms energy: -97.641306
where:
bonds (distance) C4'-P energy: -18.130
bonds (distance) P-C4' energy: -22.254
flat angles C4'-P-C4' energy: -19.007
flat angles P-C4'-P energy: -13.156
tors. eta vs tors. theta energy: -25.095
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 211
Temperature: 1.000000
Total energy: -293.606372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.606372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.606372 (E_RNA)
where:
Base-Base interactions energy: -201.999
where: short stacking energy: -82.433
Base-Backbone interact. energy: -0.298
local terms energy: -91.310197
where:
bonds (distance) C4'-P energy: -18.301
bonds (distance) P-C4' energy: -23.311
flat angles C4'-P-C4' energy: -19.301
flat angles P-C4'-P energy: -12.687
tors. eta vs tors. theta energy: -17.710
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 211
Temperature: 1.050000
Total energy: -250.348979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.348979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.348979 (E_RNA)
where:
Base-Base interactions energy: -157.513
where: short stacking energy: -89.737
Base-Backbone interact. energy: -0.783
local terms energy: -92.052558
where:
bonds (distance) C4'-P energy: -20.527
bonds (distance) P-C4' energy: -17.613
flat angles C4'-P-C4' energy: -18.862
flat angles P-C4'-P energy: -12.827
tors. eta vs tors. theta energy: -22.224
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 211
Temperature: 1.100000
Total energy: -244.686037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.686037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.686037 (E_RNA)
where:
Base-Base interactions energy: -154.557
where: short stacking energy: -77.276
Base-Backbone interact. energy: -0.080
local terms energy: -90.048696
where:
bonds (distance) C4'-P energy: -20.752
bonds (distance) P-C4' energy: -15.127
flat angles C4'-P-C4' energy: -16.711
flat angles P-C4'-P energy: -14.326
tors. eta vs tors. theta energy: -23.134
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 211
Temperature: 1.150000
Total energy: -248.116302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.116302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.116302 (E_RNA)
where:
Base-Base interactions energy: -162.641
where: short stacking energy: -65.088
Base-Backbone interact. energy: -0.292
local terms energy: -85.183457
where:
bonds (distance) C4'-P energy: -18.120
bonds (distance) P-C4' energy: -16.646
flat angles C4'-P-C4' energy: -20.102
flat angles P-C4'-P energy: -14.653
tors. eta vs tors. theta energy: -15.662
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 211
Temperature: 1.200000
Total energy: -228.204448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.204448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.204448 (E_RNA)
where:
Base-Base interactions energy: -144.374
where: short stacking energy: -74.609
Base-Backbone interact. energy: -0.342
local terms energy: -83.487865
where:
bonds (distance) C4'-P energy: -19.719
bonds (distance) P-C4' energy: -17.421
flat angles C4'-P-C4' energy: -18.014
flat angles P-C4'-P energy: -8.363
tors. eta vs tors. theta energy: -19.971
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 211
Temperature: 1.250000
Total energy: -204.665122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.665122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.665122 (E_RNA)
where:
Base-Base interactions energy: -119.263
where: short stacking energy: -74.019
Base-Backbone interact. energy: -0.056
local terms energy: -85.345996
where:
bonds (distance) C4'-P energy: -15.140
bonds (distance) P-C4' energy: -18.221
flat angles C4'-P-C4' energy: -19.313
flat angles P-C4'-P energy: -12.200
tors. eta vs tors. theta energy: -20.473
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 211
Temperature: 1.300000
Total energy: -196.770085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.770085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.770085 (E_RNA)
where:
Base-Base interactions energy: -119.032
where: short stacking energy: -75.607
Base-Backbone interact. energy: -0.077
local terms energy: -77.661541
where:
bonds (distance) C4'-P energy: -15.826
bonds (distance) P-C4' energy: -14.366
flat angles C4'-P-C4' energy: -19.982
flat angles P-C4'-P energy: -11.003
tors. eta vs tors. theta energy: -16.484
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 211
Temperature: 1.350000
Total energy: -96.541814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.541814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.541814 (E_RNA)
where:
Base-Base interactions energy: -45.177
where: short stacking energy: -33.158
Base-Backbone interact. energy: 0.277
local terms energy: -51.641900
where:
bonds (distance) C4'-P energy: -18.645
bonds (distance) P-C4' energy: -16.184
flat angles C4'-P-C4' energy: -13.460
flat angles P-C4'-P energy: -8.414
tors. eta vs tors. theta energy: 5.062
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 212
Temperature: 0.900000
Total energy: -343.880047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.880047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.880047 (E_RNA)
where:
Base-Base interactions energy: -240.338
where: short stacking energy: -101.423
Base-Backbone interact. energy: -0.398
local terms energy: -103.144728
where:
bonds (distance) C4'-P energy: -15.501
bonds (distance) P-C4' energy: -21.437
flat angles C4'-P-C4' energy: -22.519
flat angles P-C4'-P energy: -17.818
tors. eta vs tors. theta energy: -25.870
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 212
Temperature: 0.950000
Total energy: -311.688479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.688479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.688479 (E_RNA)
where:
Base-Base interactions energy: -213.205
where: short stacking energy: -100.407
Base-Backbone interact. energy: -0.736
local terms energy: -97.748122
where:
bonds (distance) C4'-P energy: -19.412
bonds (distance) P-C4' energy: -14.770
flat angles C4'-P-C4' energy: -21.207
flat angles P-C4'-P energy: -17.720
tors. eta vs tors. theta energy: -24.639
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 212
Temperature: 1.000000
Total energy: -293.978159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.978159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.978159 (E_RNA)
where:
Base-Base interactions energy: -212.284
where: short stacking energy: -76.192
Base-Backbone interact. energy: -0.336
local terms energy: -81.358668
where:
bonds (distance) C4'-P energy: -20.377
bonds (distance) P-C4' energy: -17.553
flat angles C4'-P-C4' energy: -17.980
flat angles P-C4'-P energy: -10.308
tors. eta vs tors. theta energy: -15.140
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 212
Temperature: 1.050000
Total energy: -242.113640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.113640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.113640 (E_RNA)
where:
Base-Base interactions energy: -155.386
where: short stacking energy: -81.645
Base-Backbone interact. energy: -0.699
local terms energy: -86.028357
where:
bonds (distance) C4'-P energy: -18.848
bonds (distance) P-C4' energy: -21.856
flat angles C4'-P-C4' energy: -15.843
flat angles P-C4'-P energy: -10.399
tors. eta vs tors. theta energy: -19.083
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 212
Temperature: 1.100000
Total energy: -250.592668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.592668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.592668 (E_RNA)
where:
Base-Base interactions energy: -149.017
where: short stacking energy: -73.541
Base-Backbone interact. energy: -0.704
local terms energy: -100.871366
where:
bonds (distance) C4'-P energy: -22.010
bonds (distance) P-C4' energy: -19.389
flat angles C4'-P-C4' energy: -19.850
flat angles P-C4'-P energy: -15.415
tors. eta vs tors. theta energy: -24.208
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 212
Temperature: 1.150000
Total energy: -233.077961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.077961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.077961 (E_RNA)
where:
Base-Base interactions energy: -149.974
where: short stacking energy: -76.732
Base-Backbone interact. energy: -0.323
local terms energy: -82.780054
where:
bonds (distance) C4'-P energy: -15.049
bonds (distance) P-C4' energy: -19.744
flat angles C4'-P-C4' energy: -16.277
flat angles P-C4'-P energy: -17.547
tors. eta vs tors. theta energy: -14.163
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 212
Temperature: 1.200000
Total energy: -213.280747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.280747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.280747 (E_RNA)
where:
Base-Base interactions energy: -125.866
where: short stacking energy: -70.081
Base-Backbone interact. energy: -0.533
local terms energy: -86.881405
where:
bonds (distance) C4'-P energy: -19.377
bonds (distance) P-C4' energy: -22.362
flat angles C4'-P-C4' energy: -19.025
flat angles P-C4'-P energy: -10.176
tors. eta vs tors. theta energy: -15.941
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 212
Temperature: 1.250000
Total energy: -223.818531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.818531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.818531 (E_RNA)
where:
Base-Base interactions energy: -145.545
where: short stacking energy: -63.261
Base-Backbone interact. energy: -0.315
local terms energy: -77.958807
where:
bonds (distance) C4'-P energy: -15.563
bonds (distance) P-C4' energy: -13.442
flat angles C4'-P-C4' energy: -22.858
flat angles P-C4'-P energy: -12.441
tors. eta vs tors. theta energy: -13.655
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 212
Temperature: 1.300000
Total energy: -194.059410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.059410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.059410 (E_RNA)
where:
Base-Base interactions energy: -118.898
where: short stacking energy: -53.961
Base-Backbone interact. energy: 0.624
local terms energy: -75.785780
where:
bonds (distance) C4'-P energy: -20.083
bonds (distance) P-C4' energy: -21.393
flat angles C4'-P-C4' energy: -17.982
flat angles P-C4'-P energy: -6.628
tors. eta vs tors. theta energy: -9.699
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 212
Temperature: 1.350000
Total energy: -101.528097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.528097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.528097 (E_RNA)
where:
Base-Base interactions energy: -45.556
where: short stacking energy: -39.151
Base-Backbone interact. energy: -0.203
local terms energy: -55.769145
where:
bonds (distance) C4'-P energy: -17.152
bonds (distance) P-C4' energy: -12.858
flat angles C4'-P-C4' energy: -18.764
flat angles P-C4'-P energy: -4.014
tors. eta vs tors. theta energy: -2.981
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 213
Temperature: 0.900000
Total energy: -350.943882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.943882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.943882 (E_RNA)
where:
Base-Base interactions energy: -246.524
where: short stacking energy: -103.125
Base-Backbone interact. energy: -0.505
local terms energy: -103.915535
where:
bonds (distance) C4'-P energy: -17.828
bonds (distance) P-C4' energy: -18.359
flat angles C4'-P-C4' energy: -24.615
flat angles P-C4'-P energy: -16.007
tors. eta vs tors. theta energy: -27.107
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 213
Temperature: 0.950000
Total energy: -309.127176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.127176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.127176 (E_RNA)
where:
Base-Base interactions energy: -206.619
where: short stacking energy: -101.317
Base-Backbone interact. energy: -0.447
local terms energy: -102.060989
where:
bonds (distance) C4'-P energy: -21.586
bonds (distance) P-C4' energy: -16.088
flat angles C4'-P-C4' energy: -22.882
flat angles P-C4'-P energy: -15.739
tors. eta vs tors. theta energy: -25.765
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 213
Temperature: 1.000000
Total energy: -289.571464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.571464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.571464 (E_RNA)
where:
Base-Base interactions energy: -201.167
where: short stacking energy: -83.411
Base-Backbone interact. energy: -0.310
local terms energy: -88.094914
where:
bonds (distance) C4'-P energy: -15.110
bonds (distance) P-C4' energy: -17.611
flat angles C4'-P-C4' energy: -19.770
flat angles P-C4'-P energy: -13.071
tors. eta vs tors. theta energy: -22.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 213
Temperature: 1.050000
Total energy: -255.765275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.765275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.765275 (E_RNA)
where:
Base-Base interactions energy: -166.865
where: short stacking energy: -75.815
Base-Backbone interact. energy: -0.591
local terms energy: -88.308338
where:
bonds (distance) C4'-P energy: -16.714
bonds (distance) P-C4' energy: -18.594
flat angles C4'-P-C4' energy: -24.194
flat angles P-C4'-P energy: -9.678
tors. eta vs tors. theta energy: -19.128
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 213
Temperature: 1.100000
Total energy: -253.712865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.712865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.712865 (E_RNA)
where:
Base-Base interactions energy: -157.550
where: short stacking energy: -85.881
Base-Backbone interact. energy: -0.007
local terms energy: -96.155481
where:
bonds (distance) C4'-P energy: -19.352
bonds (distance) P-C4' energy: -16.933
flat angles C4'-P-C4' energy: -19.505
flat angles P-C4'-P energy: -15.626
tors. eta vs tors. theta energy: -24.740
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 213
Temperature: 1.150000
Total energy: -236.732559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.732559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.732559 (E_RNA)
where:
Base-Base interactions energy: -158.900
where: short stacking energy: -65.610
Base-Backbone interact. energy: -0.517
local terms energy: -77.315478
where:
bonds (distance) C4'-P energy: -20.362
bonds (distance) P-C4' energy: -13.056
flat angles C4'-P-C4' energy: -15.731
flat angles P-C4'-P energy: -15.021
tors. eta vs tors. theta energy: -13.146
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 213
Temperature: 1.200000
Total energy: -198.679281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.679281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.679281 (E_RNA)
where:
Base-Base interactions energy: -121.546
where: short stacking energy: -62.767
Base-Backbone interact. energy: -0.332
local terms energy: -76.801474
where:
bonds (distance) C4'-P energy: -16.122
bonds (distance) P-C4' energy: -17.048
flat angles C4'-P-C4' energy: -19.440
flat angles P-C4'-P energy: -11.428
tors. eta vs tors. theta energy: -12.763
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 213
Temperature: 1.250000
Total energy: -229.285326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.285326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.285326 (E_RNA)
where:
Base-Base interactions energy: -145.341
where: short stacking energy: -68.559
Base-Backbone interact. energy: -0.457
local terms energy: -83.487201
where:
bonds (distance) C4'-P energy: -18.445
bonds (distance) P-C4' energy: -18.589
flat angles C4'-P-C4' energy: -16.360
flat angles P-C4'-P energy: -13.161
tors. eta vs tors. theta energy: -16.932
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 213
Temperature: 1.300000
Total energy: -185.472226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.472226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.472226 (E_RNA)
where:
Base-Base interactions energy: -114.577
where: short stacking energy: -56.684
Base-Backbone interact. energy: -0.187
local terms energy: -70.708721
where:
bonds (distance) C4'-P energy: -9.242
bonds (distance) P-C4' energy: -22.032
flat angles C4'-P-C4' energy: -17.979
flat angles P-C4'-P energy: -11.435
tors. eta vs tors. theta energy: -10.021
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 213
Temperature: 1.350000
Total energy: -141.110511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.110511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.110511 (E_RNA)
where:
Base-Base interactions energy: -86.608
where: short stacking energy: -45.189
Base-Backbone interact. energy: 1.810
local terms energy: -56.312059
where:
bonds (distance) C4'-P energy: -13.775
bonds (distance) P-C4' energy: -21.274
flat angles C4'-P-C4' energy: -14.400
flat angles P-C4'-P energy: -6.088
tors. eta vs tors. theta energy: -0.774
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 214
Temperature: 0.900000
Total energy: -346.905068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.905068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.905068 (E_RNA)
where:
Base-Base interactions energy: -252.263
where: short stacking energy: -101.121
Base-Backbone interact. energy: -0.571
local terms energy: -94.071511
where:
bonds (distance) C4'-P energy: -18.287
bonds (distance) P-C4' energy: -18.369
flat angles C4'-P-C4' energy: -17.583
flat angles P-C4'-P energy: -15.694
tors. eta vs tors. theta energy: -24.138
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 214
Temperature: 0.950000
Total energy: -309.283172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.283172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.283172 (E_RNA)
where:
Base-Base interactions energy: -203.136
where: short stacking energy: -98.558
Base-Backbone interact. energy: -0.144
local terms energy: -106.003569
where:
bonds (distance) C4'-P energy: -20.532
bonds (distance) P-C4' energy: -20.131
flat angles C4'-P-C4' energy: -23.377
flat angles P-C4'-P energy: -16.811
tors. eta vs tors. theta energy: -25.152
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 214
Temperature: 1.000000
Total energy: -294.269811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.269811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.269811 (E_RNA)
where:
Base-Base interactions energy: -208.634
where: short stacking energy: -87.021
Base-Backbone interact. energy: -0.278
local terms energy: -85.358064
where:
bonds (distance) C4'-P energy: -17.176
bonds (distance) P-C4' energy: -16.305
flat angles C4'-P-C4' energy: -21.914
flat angles P-C4'-P energy: -14.053
tors. eta vs tors. theta energy: -15.910
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 214
Temperature: 1.050000
Total energy: -247.015930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.015930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.015930 (E_RNA)
where:
Base-Base interactions energy: -147.351
where: short stacking energy: -84.435
Base-Backbone interact. energy: -0.010
local terms energy: -99.655418
where:
bonds (distance) C4'-P energy: -22.825
bonds (distance) P-C4' energy: -22.538
flat angles C4'-P-C4' energy: -19.336
flat angles P-C4'-P energy: -10.419
tors. eta vs tors. theta energy: -24.537
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 214
Temperature: 1.100000
Total energy: -255.329733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.329733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.329733 (E_RNA)
where:
Base-Base interactions energy: -177.691
where: short stacking energy: -78.224
Base-Backbone interact. energy: -0.053
local terms energy: -77.586388
where:
bonds (distance) C4'-P energy: -16.833
bonds (distance) P-C4' energy: -16.841
flat angles C4'-P-C4' energy: -16.175
flat angles P-C4'-P energy: -11.527
tors. eta vs tors. theta energy: -16.210
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 214
Temperature: 1.150000
Total energy: -237.343821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.343821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.343821 (E_RNA)
where:
Base-Base interactions energy: -150.337
where: short stacking energy: -78.930
Base-Backbone interact. energy: -0.228
local terms energy: -86.778769
where:
bonds (distance) C4'-P energy: -17.695
bonds (distance) P-C4' energy: -16.304
flat angles C4'-P-C4' energy: -18.972
flat angles P-C4'-P energy: -10.508
tors. eta vs tors. theta energy: -23.300
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 214
Temperature: 1.200000
Total energy: -226.797185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.797185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.797185 (E_RNA)
where:
Base-Base interactions energy: -143.827
where: short stacking energy: -71.761
Base-Backbone interact. energy: -0.332
local terms energy: -82.638666
where:
bonds (distance) C4'-P energy: -15.619
bonds (distance) P-C4' energy: -18.678
flat angles C4'-P-C4' energy: -17.902
flat angles P-C4'-P energy: -12.462
tors. eta vs tors. theta energy: -17.977
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 214
Temperature: 1.250000
Total energy: -153.111478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.111478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.111478 (E_RNA)
where:
Base-Base interactions energy: -87.617
where: short stacking energy: -44.269
Base-Backbone interact. energy: -1.874
local terms energy: -63.620302
where:
bonds (distance) C4'-P energy: -9.546
bonds (distance) P-C4' energy: -21.468
flat angles C4'-P-C4' energy: -19.482
flat angles P-C4'-P energy: -5.315
tors. eta vs tors. theta energy: -7.810
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 214
Temperature: 1.300000
Total energy: -180.301430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.301430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.301430 (E_RNA)
where:
Base-Base interactions energy: -102.656
where: short stacking energy: -58.380
Base-Backbone interact. energy: -0.226
local terms energy: -77.419215
where:
bonds (distance) C4'-P energy: -14.132
bonds (distance) P-C4' energy: -18.780
flat angles C4'-P-C4' energy: -16.849
flat angles P-C4'-P energy: -13.366
tors. eta vs tors. theta energy: -14.293
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 214
Temperature: 1.350000
Total energy: -151.035077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.035077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.035077 (E_RNA)
where:
Base-Base interactions energy: -88.072
where: short stacking energy: -46.080
Base-Backbone interact. energy: -0.244
local terms energy: -62.719646
where:
bonds (distance) C4'-P energy: -18.028
bonds (distance) P-C4' energy: -22.799
flat angles C4'-P-C4' energy: -12.325
flat angles P-C4'-P energy: -0.216
tors. eta vs tors. theta energy: -9.351
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 215
Temperature: 0.900000
Total energy: -341.586455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.586455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.586455 (E_RNA)
where:
Base-Base interactions energy: -241.913
where: short stacking energy: -97.092
Base-Backbone interact. energy: -0.625
local terms energy: -99.048158
where:
bonds (distance) C4'-P energy: -19.770
bonds (distance) P-C4' energy: -17.292
flat angles C4'-P-C4' energy: -23.661
flat angles P-C4'-P energy: -12.975
tors. eta vs tors. theta energy: -25.349
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 215
Temperature: 0.950000
Total energy: -305.629933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.629933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.629933 (E_RNA)
where:
Base-Base interactions energy: -218.321
where: short stacking energy: -81.855
Base-Backbone interact. energy: -0.257
local terms energy: -87.051409
where:
bonds (distance) C4'-P energy: -13.973
bonds (distance) P-C4' energy: -20.073
flat angles C4'-P-C4' energy: -17.885
flat angles P-C4'-P energy: -13.330
tors. eta vs tors. theta energy: -21.791
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 215
Temperature: 1.000000
Total energy: -296.559562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.559562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.559562 (E_RNA)
where:
Base-Base interactions energy: -201.571
where: short stacking energy: -88.400
Base-Backbone interact. energy: -0.600
local terms energy: -94.388577
where:
bonds (distance) C4'-P energy: -15.875
bonds (distance) P-C4' energy: -20.939
flat angles C4'-P-C4' energy: -19.187
flat angles P-C4'-P energy: -15.401
tors. eta vs tors. theta energy: -22.987
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 215
Temperature: 1.050000
Total energy: -261.477178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.477178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.477178 (E_RNA)
where:
Base-Base interactions energy: -179.844
where: short stacking energy: -86.754
Base-Backbone interact. energy: -0.134
local terms energy: -81.499406
where:
bonds (distance) C4'-P energy: -13.966
bonds (distance) P-C4' energy: -11.769
flat angles C4'-P-C4' energy: -19.698
flat angles P-C4'-P energy: -16.120
tors. eta vs tors. theta energy: -19.946
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 215
Temperature: 1.100000
Total energy: -224.408643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.408643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.408643 (E_RNA)
where:
Base-Base interactions energy: -145.411
where: short stacking energy: -67.493
Base-Backbone interact. energy: -1.068
local terms energy: -77.929692
where:
bonds (distance) C4'-P energy: -16.719
bonds (distance) P-C4' energy: -17.495
flat angles C4'-P-C4' energy: -12.490
flat angles P-C4'-P energy: -14.148
tors. eta vs tors. theta energy: -17.078
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 215
Temperature: 1.150000
Total energy: -244.781860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.781860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.781860 (E_RNA)
where:
Base-Base interactions energy: -164.042
where: short stacking energy: -73.687
Base-Backbone interact. energy: -0.314
local terms energy: -80.426562
where:
bonds (distance) C4'-P energy: -12.706
bonds (distance) P-C4' energy: -20.942
flat angles C4'-P-C4' energy: -17.529
flat angles P-C4'-P energy: -11.176
tors. eta vs tors. theta energy: -18.073
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 215
Temperature: 1.200000
Total energy: -236.115467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.115467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.115467 (E_RNA)
where:
Base-Base interactions energy: -152.994
where: short stacking energy: -78.297
Base-Backbone interact. energy: -0.070
local terms energy: -83.051465
where:
bonds (distance) C4'-P energy: -19.766
bonds (distance) P-C4' energy: -18.364
flat angles C4'-P-C4' energy: -16.293
flat angles P-C4'-P energy: -8.754
tors. eta vs tors. theta energy: -19.873
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 215
Temperature: 1.250000
Total energy: -190.384040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.384040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.384040 (E_RNA)
where:
Base-Base interactions energy: -118.645
where: short stacking energy: -53.065
Base-Backbone interact. energy: -1.673
local terms energy: -70.066195
where:
bonds (distance) C4'-P energy: -18.399
bonds (distance) P-C4' energy: -17.171
flat angles C4'-P-C4' energy: -17.283
flat angles P-C4'-P energy: -4.083
tors. eta vs tors. theta energy: -13.130
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 215
Temperature: 1.300000
Total energy: -142.216086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.216086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.216086 (E_RNA)
where:
Base-Base interactions energy: -78.965
where: short stacking energy: -41.165
Base-Backbone interact. energy: -0.287
local terms energy: -62.963615
where:
bonds (distance) C4'-P energy: -17.260
bonds (distance) P-C4' energy: -17.530
flat angles C4'-P-C4' energy: -10.784
flat angles P-C4'-P energy: -8.953
tors. eta vs tors. theta energy: -8.437
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 215
Temperature: 1.350000
Total energy: -109.909005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.909005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.909005 (E_RNA)
where:
Base-Base interactions energy: -52.330
where: short stacking energy: -44.191
Base-Backbone interact. energy: -0.328
local terms energy: -57.251773
where:
bonds (distance) C4'-P energy: -14.972
bonds (distance) P-C4' energy: -17.115
flat angles C4'-P-C4' energy: -17.191
flat angles P-C4'-P energy: -6.927
tors. eta vs tors. theta energy: -1.046
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 216
Temperature: 0.900000
Total energy: -339.675953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.675953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.675953 (E_RNA)
where:
Base-Base interactions energy: -251.047
where: short stacking energy: -100.603
Base-Backbone interact. energy: -0.292
local terms energy: -88.336920
where:
bonds (distance) C4'-P energy: -15.414
bonds (distance) P-C4' energy: -13.307
flat angles C4'-P-C4' energy: -21.500
flat angles P-C4'-P energy: -12.343
tors. eta vs tors. theta energy: -25.773
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 216
Temperature: 0.950000
Total energy: -297.655829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.655829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.655829 (E_RNA)
where:
Base-Base interactions energy: -199.504
where: short stacking energy: -93.318
Base-Backbone interact. energy: -2.195
local terms energy: -95.956619
where:
bonds (distance) C4'-P energy: -16.206
bonds (distance) P-C4' energy: -20.778
flat angles C4'-P-C4' energy: -20.647
flat angles P-C4'-P energy: -9.317
tors. eta vs tors. theta energy: -29.008
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 216
Temperature: 1.000000
Total energy: -296.515473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.515473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.515473 (E_RNA)
where:
Base-Base interactions energy: -204.217
where: short stacking energy: -95.433
Base-Backbone interact. energy: -0.215
local terms energy: -92.083697
where:
bonds (distance) C4'-P energy: -18.974
bonds (distance) P-C4' energy: -18.580
flat angles C4'-P-C4' energy: -20.207
flat angles P-C4'-P energy: -10.717
tors. eta vs tors. theta energy: -23.606
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 216
Temperature: 1.050000
Total energy: -254.459433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.459433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.459433 (E_RNA)
where:
Base-Base interactions energy: -171.725
where: short stacking energy: -71.954
Base-Backbone interact. energy: -0.329
local terms energy: -82.405047
where:
bonds (distance) C4'-P energy: -12.713
bonds (distance) P-C4' energy: -19.901
flat angles C4'-P-C4' energy: -22.026
flat angles P-C4'-P energy: -13.263
tors. eta vs tors. theta energy: -14.502
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 216
Temperature: 1.100000
Total energy: -255.018861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.018861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.018861 (E_RNA)
where:
Base-Base interactions energy: -169.613
where: short stacking energy: -80.325
Base-Backbone interact. energy: -0.090
local terms energy: -85.315986
where:
bonds (distance) C4'-P energy: -18.353
bonds (distance) P-C4' energy: -17.447
flat angles C4'-P-C4' energy: -20.651
flat angles P-C4'-P energy: -9.614
tors. eta vs tors. theta energy: -19.252
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 216
Temperature: 1.150000
Total energy: -220.257748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.257748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.257748 (E_RNA)
where:
Base-Base interactions energy: -142.951
where: short stacking energy: -70.601
Base-Backbone interact. energy: -2.598
local terms energy: -74.708922
where:
bonds (distance) C4'-P energy: -12.622
bonds (distance) P-C4' energy: -10.419
flat angles C4'-P-C4' energy: -17.458
flat angles P-C4'-P energy: -16.375
tors. eta vs tors. theta energy: -17.835
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 216
Temperature: 1.200000
Total energy: -181.050843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.050843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.050843 (E_RNA)
where:
Base-Base interactions energy: -112.258
where: short stacking energy: -60.129
Base-Backbone interact. energy: -1.278
local terms energy: -67.515099
where:
bonds (distance) C4'-P energy: -15.186
bonds (distance) P-C4' energy: -19.794
flat angles C4'-P-C4' energy: -18.066
flat angles P-C4'-P energy: -12.155
tors. eta vs tors. theta energy: -2.315
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 216
Temperature: 1.250000
Total energy: -204.053782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.053782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.053782 (E_RNA)
where:
Base-Base interactions energy: -132.958
where: short stacking energy: -53.208
Base-Backbone interact. energy: -0.670
local terms energy: -70.425801
where:
bonds (distance) C4'-P energy: -16.296
bonds (distance) P-C4' energy: -22.176
flat angles C4'-P-C4' energy: -12.953
flat angles P-C4'-P energy: -10.296
tors. eta vs tors. theta energy: -8.705
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 216
Temperature: 1.300000
Total energy: -106.913162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.913162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.913162 (E_RNA)
where:
Base-Base interactions energy: -43.380
where: short stacking energy: -38.394
Base-Backbone interact. energy: -0.126
local terms energy: -63.407701
where:
bonds (distance) C4'-P energy: -17.818
bonds (distance) P-C4' energy: -17.586
flat angles C4'-P-C4' energy: -20.445
flat angles P-C4'-P energy: -2.542
tors. eta vs tors. theta energy: -5.017
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 216
Temperature: 1.350000
Total energy: -127.632614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.632614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.632614 (E_RNA)
where:
Base-Base interactions energy: -55.258
where: short stacking energy: -24.987
Base-Backbone interact. energy: -0.725
local terms energy: -71.649927
where:
bonds (distance) C4'-P energy: -19.984
bonds (distance) P-C4' energy: -20.145
flat angles C4'-P-C4' energy: -19.776
flat angles P-C4'-P energy: -12.784
tors. eta vs tors. theta energy: 1.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 217
Temperature: 0.900000
Total energy: -343.524767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.524767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.524767 (E_RNA)
where:
Base-Base interactions energy: -242.327
where: short stacking energy: -94.038
Base-Backbone interact. energy: -0.424
local terms energy: -100.773217
where:
bonds (distance) C4'-P energy: -20.263
bonds (distance) P-C4' energy: -18.517
flat angles C4'-P-C4' energy: -22.129
flat angles P-C4'-P energy: -17.285
tors. eta vs tors. theta energy: -22.578
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 217
Temperature: 0.950000
Total energy: -300.227501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.227501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.227501 (E_RNA)
where:
Base-Base interactions energy: -199.341
where: short stacking energy: -90.833
Base-Backbone interact. energy: -0.055
local terms energy: -100.831286
where:
bonds (distance) C4'-P energy: -21.364
bonds (distance) P-C4' energy: -18.875
flat angles C4'-P-C4' energy: -22.535
flat angles P-C4'-P energy: -15.315
tors. eta vs tors. theta energy: -22.743
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 217
Temperature: 1.000000
Total energy: -296.996931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.996931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.996931 (E_RNA)
where:
Base-Base interactions energy: -200.810
where: short stacking energy: -86.469
Base-Backbone interact. energy: -0.576
local terms energy: -95.610343
where:
bonds (distance) C4'-P energy: -18.535
bonds (distance) P-C4' energy: -20.820
flat angles C4'-P-C4' energy: -22.371
flat angles P-C4'-P energy: -9.182
tors. eta vs tors. theta energy: -24.702
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 217
Temperature: 1.050000
Total energy: -273.130157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.130157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.130157 (E_RNA)
where:
Base-Base interactions energy: -177.085
where: short stacking energy: -88.489
Base-Backbone interact. energy: -0.118
local terms energy: -95.927827
where:
bonds (distance) C4'-P energy: -18.379
bonds (distance) P-C4' energy: -17.272
flat angles C4'-P-C4' energy: -19.322
flat angles P-C4'-P energy: -12.566
tors. eta vs tors. theta energy: -28.389
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 217
Temperature: 1.100000
Total energy: -263.652864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.652864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.652864 (E_RNA)
where:
Base-Base interactions energy: -175.193
where: short stacking energy: -81.074
Base-Backbone interact. energy: -0.105
local terms energy: -88.354509
where:
bonds (distance) C4'-P energy: -18.867
bonds (distance) P-C4' energy: -19.220
flat angles C4'-P-C4' energy: -19.287
flat angles P-C4'-P energy: -12.470
tors. eta vs tors. theta energy: -18.510
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 217
Temperature: 1.150000
Total energy: -228.264044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.264044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.264044 (E_RNA)
where:
Base-Base interactions energy: -157.481
where: short stacking energy: -77.617
Base-Backbone interact. energy: -0.178
local terms energy: -70.605292
where:
bonds (distance) C4'-P energy: -14.581
bonds (distance) P-C4' energy: -19.454
flat angles C4'-P-C4' energy: -14.777
flat angles P-C4'-P energy: -2.992
tors. eta vs tors. theta energy: -18.801
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 217
Temperature: 1.200000
Total energy: -197.100156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.100156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.100156 (E_RNA)
where:
Base-Base interactions energy: -125.012
where: short stacking energy: -66.935
Base-Backbone interact. energy: -0.375
local terms energy: -71.713829
where:
bonds (distance) C4'-P energy: -14.735
bonds (distance) P-C4' energy: -18.337
flat angles C4'-P-C4' energy: -14.887
flat angles P-C4'-P energy: -9.707
tors. eta vs tors. theta energy: -14.048
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 217
Temperature: 1.250000
Total energy: -218.017223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.017223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.017223 (E_RNA)
where:
Base-Base interactions energy: -136.303
where: short stacking energy: -63.246
Base-Backbone interact. energy: -0.397
local terms energy: -81.317498
where:
bonds (distance) C4'-P energy: -22.593
bonds (distance) P-C4' energy: -18.440
flat angles C4'-P-C4' energy: -16.431
flat angles P-C4'-P energy: -6.934
tors. eta vs tors. theta energy: -16.920
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 217
Temperature: 1.300000
Total energy: -127.114798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.114798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.114798 (E_RNA)
where:
Base-Base interactions energy: -62.517
where: short stacking energy: -35.470
Base-Backbone interact. energy: 0.827
local terms energy: -65.425278
where:
bonds (distance) C4'-P energy: -18.624
bonds (distance) P-C4' energy: -16.143
flat angles C4'-P-C4' energy: -17.416
flat angles P-C4'-P energy: -13.667
tors. eta vs tors. theta energy: 0.425
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 217
Temperature: 1.350000
Total energy: -111.925179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.925179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.925179 (E_RNA)
where:
Base-Base interactions energy: -48.844
where: short stacking energy: -41.166
Base-Backbone interact. energy: -0.239
local terms energy: -62.841470
where:
bonds (distance) C4'-P energy: -18.532
bonds (distance) P-C4' energy: -22.500
flat angles C4'-P-C4' energy: -10.707
flat angles P-C4'-P energy: -11.107
tors. eta vs tors. theta energy: 0.004
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 218
Temperature: 0.900000
Total energy: -302.596717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.596717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.596717 (E_RNA)
where:
Base-Base interactions energy: -204.733
where: short stacking energy: -90.769
Base-Backbone interact. energy: -0.039
local terms energy: -97.825236
where:
bonds (distance) C4'-P energy: -20.110
bonds (distance) P-C4' energy: -19.428
flat angles C4'-P-C4' energy: -21.176
flat angles P-C4'-P energy: -13.654
tors. eta vs tors. theta energy: -23.458
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 218
Temperature: 0.950000
Total energy: -336.758278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.758278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.758278 (E_RNA)
where:
Base-Base interactions energy: -240.969
where: short stacking energy: -98.869
Base-Backbone interact. energy: -0.607
local terms energy: -95.181750
where:
bonds (distance) C4'-P energy: -20.822
bonds (distance) P-C4' energy: -20.235
flat angles C4'-P-C4' energy: -16.933
flat angles P-C4'-P energy: -14.123
tors. eta vs tors. theta energy: -23.070
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 218
Temperature: 1.000000
Total energy: -294.901505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.901505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.901505 (E_RNA)
where:
Base-Base interactions energy: -193.814
where: short stacking energy: -90.227
Base-Backbone interact. energy: -0.034
local terms energy: -101.053400
where:
bonds (distance) C4'-P energy: -21.214
bonds (distance) P-C4' energy: -18.819
flat angles C4'-P-C4' energy: -22.609
flat angles P-C4'-P energy: -14.303
tors. eta vs tors. theta energy: -24.109
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 218
Temperature: 1.050000
Total energy: -295.973320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.973320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.973320 (E_RNA)
where:
Base-Base interactions energy: -202.993
where: short stacking energy: -104.921
Base-Backbone interact. energy: -0.502
local terms energy: -92.478135
where:
bonds (distance) C4'-P energy: -22.179
bonds (distance) P-C4' energy: -15.296
flat angles C4'-P-C4' energy: -20.688
flat angles P-C4'-P energy: -8.578
tors. eta vs tors. theta energy: -25.737
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 218
Temperature: 1.100000
Total energy: -247.592341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.592341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.592341 (E_RNA)
where:
Base-Base interactions energy: -157.546
where: short stacking energy: -74.901
Base-Backbone interact. energy: -0.252
local terms energy: -89.794095
where:
bonds (distance) C4'-P energy: -17.666
bonds (distance) P-C4' energy: -18.107
flat angles C4'-P-C4' energy: -23.145
flat angles P-C4'-P energy: -14.349
tors. eta vs tors. theta energy: -16.528
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 218
Temperature: 1.150000
Total energy: -227.734666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.734666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.734666 (E_RNA)
where:
Base-Base interactions energy: -153.356
where: short stacking energy: -81.182
Base-Backbone interact. energy: -0.593
local terms energy: -73.785178
where:
bonds (distance) C4'-P energy: -15.940
bonds (distance) P-C4' energy: -15.063
flat angles C4'-P-C4' energy: -15.352
flat angles P-C4'-P energy: -8.962
tors. eta vs tors. theta energy: -18.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 218
Temperature: 1.200000
Total energy: -200.392478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.392478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.392478 (E_RNA)
where:
Base-Base interactions energy: -120.220
where: short stacking energy: -68.003
Base-Backbone interact. energy: -0.346
local terms energy: -79.826777
where:
bonds (distance) C4'-P energy: -15.448
bonds (distance) P-C4' energy: -15.449
flat angles C4'-P-C4' energy: -16.063
flat angles P-C4'-P energy: -12.483
tors. eta vs tors. theta energy: -20.385
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 218
Temperature: 1.250000
Total energy: -218.128811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.128811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.128811 (E_RNA)
where:
Base-Base interactions energy: -130.692
where: short stacking energy: -74.914
Base-Backbone interact. energy: -0.299
local terms energy: -87.138150
where:
bonds (distance) C4'-P energy: -18.077
bonds (distance) P-C4' energy: -21.725
flat angles C4'-P-C4' energy: -18.423
flat angles P-C4'-P energy: -9.731
tors. eta vs tors. theta energy: -19.182
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 218
Temperature: 1.300000
Total energy: -114.834480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.834480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.834480 (E_RNA)
where:
Base-Base interactions energy: -46.980
where: short stacking energy: -41.191
Base-Backbone interact. energy: -0.211
local terms energy: -67.643399
where:
bonds (distance) C4'-P energy: -16.619
bonds (distance) P-C4' energy: -17.172
flat angles C4'-P-C4' energy: -16.874
flat angles P-C4'-P energy: -12.411
tors. eta vs tors. theta energy: -4.567
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 218
Temperature: 1.350000
Total energy: -114.302290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.302290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.302290 (E_RNA)
where:
Base-Base interactions energy: -43.756
where: short stacking energy: -42.608
Base-Backbone interact. energy: -0.155
local terms energy: -70.391237
where:
bonds (distance) C4'-P energy: -16.483
bonds (distance) P-C4' energy: -22.585
flat angles C4'-P-C4' energy: -18.270
flat angles P-C4'-P energy: -9.064
tors. eta vs tors. theta energy: -3.990
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 219
Temperature: 0.900000
Total energy: -310.761245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.761245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.761245 (E_RNA)
where:
Base-Base interactions energy: -214.207
where: short stacking energy: -95.532
Base-Backbone interact. energy: -0.387
local terms energy: -96.167326
where:
bonds (distance) C4'-P energy: -17.016
bonds (distance) P-C4' energy: -21.643
flat angles C4'-P-C4' energy: -22.183
flat angles P-C4'-P energy: -12.802
tors. eta vs tors. theta energy: -22.523
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 219
Temperature: 0.950000
Total energy: -332.360548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.360548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.360548 (E_RNA)
where:
Base-Base interactions energy: -229.512
where: short stacking energy: -87.370
Base-Backbone interact. energy: -0.292
local terms energy: -102.556486
where:
bonds (distance) C4'-P energy: -20.768
bonds (distance) P-C4' energy: -21.242
flat angles C4'-P-C4' energy: -24.353
flat angles P-C4'-P energy: -14.195
tors. eta vs tors. theta energy: -21.998
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 219
Temperature: 1.000000
Total energy: -287.342195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.342195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.342195 (E_RNA)
where:
Base-Base interactions energy: -196.955
where: short stacking energy: -93.324
Base-Backbone interact. energy: -0.028
local terms energy: -90.358829
where:
bonds (distance) C4'-P energy: -19.032
bonds (distance) P-C4' energy: -15.318
flat angles C4'-P-C4' energy: -22.306
flat angles P-C4'-P energy: -12.851
tors. eta vs tors. theta energy: -20.851
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 219
Temperature: 1.050000
Total energy: -263.666488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.666488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.666488 (E_RNA)
where:
Base-Base interactions energy: -169.219
where: short stacking energy: -81.678
Base-Backbone interact. energy: -0.671
local terms energy: -93.776039
where:
bonds (distance) C4'-P energy: -14.549
bonds (distance) P-C4' energy: -21.327
flat angles C4'-P-C4' energy: -21.910
flat angles P-C4'-P energy: -15.119
tors. eta vs tors. theta energy: -20.870
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 219
Temperature: 1.100000
Total energy: -279.308085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.308085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.308085 (E_RNA)
where:
Base-Base interactions energy: -186.193
where: short stacking energy: -88.491
Base-Backbone interact. energy: -0.901
local terms energy: -92.213923
where:
bonds (distance) C4'-P energy: -19.575
bonds (distance) P-C4' energy: -13.656
flat angles C4'-P-C4' energy: -20.605
flat angles P-C4'-P energy: -16.454
tors. eta vs tors. theta energy: -21.924
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 219
Temperature: 1.150000
Total energy: -211.012674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.012674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.012674 (E_RNA)
where:
Base-Base interactions energy: -135.651
where: short stacking energy: -63.974
Base-Backbone interact. energy: -0.504
local terms energy: -74.857827
where:
bonds (distance) C4'-P energy: -15.510
bonds (distance) P-C4' energy: -12.801
flat angles C4'-P-C4' energy: -17.959
flat angles P-C4'-P energy: -13.330
tors. eta vs tors. theta energy: -15.258
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 219
Temperature: 1.200000
Total energy: -222.708932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.708932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.708932 (E_RNA)
where:
Base-Base interactions energy: -142.114
where: short stacking energy: -76.489
Base-Backbone interact. energy: -0.051
local terms energy: -80.544649
where:
bonds (distance) C4'-P energy: -14.653
bonds (distance) P-C4' energy: -20.612
flat angles C4'-P-C4' energy: -16.402
flat angles P-C4'-P energy: -8.868
tors. eta vs tors. theta energy: -20.010
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 219
Temperature: 1.250000
Total energy: -215.039148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.039148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.039148 (E_RNA)
where:
Base-Base interactions energy: -135.753
where: short stacking energy: -67.400
Base-Backbone interact. energy: -0.062
local terms energy: -79.224368
where:
bonds (distance) C4'-P energy: -13.601
bonds (distance) P-C4' energy: -22.222
flat angles C4'-P-C4' energy: -18.772
flat angles P-C4'-P energy: -5.425
tors. eta vs tors. theta energy: -19.204
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 219
Temperature: 1.300000
Total energy: -108.610110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.610110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.610110 (E_RNA)
where:
Base-Base interactions energy: -50.034
where: short stacking energy: -39.988
Base-Backbone interact. energy: -0.567
local terms energy: -58.009030
where:
bonds (distance) C4'-P energy: -21.511
bonds (distance) P-C4' energy: -19.103
flat angles C4'-P-C4' energy: -10.389
flat angles P-C4'-P energy: -3.312
tors. eta vs tors. theta energy: -3.694
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 219
Temperature: 1.350000
Total energy: -120.553585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.553585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.553585 (E_RNA)
where:
Base-Base interactions energy: -57.023
where: short stacking energy: -33.156
Base-Backbone interact. energy: 1.000
local terms energy: -64.530613
where:
bonds (distance) C4'-P energy: -21.289
bonds (distance) P-C4' energy: -17.965
flat angles C4'-P-C4' energy: -15.398
flat angles P-C4'-P energy: -5.812
tors. eta vs tors. theta energy: -4.067
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 220
Temperature: 0.900000
Total energy: -335.940689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.940689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.940689 (E_RNA)
where:
Base-Base interactions energy: -237.631
where: short stacking energy: -98.785
Base-Backbone interact. energy: 0.515
local terms energy: -98.825229
where:
bonds (distance) C4'-P energy: -16.611
bonds (distance) P-C4' energy: -20.344
flat angles C4'-P-C4' energy: -21.072
flat angles P-C4'-P energy: -13.826
tors. eta vs tors. theta energy: -26.973
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 220
Temperature: 0.950000
Total energy: -296.058506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.058506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.058506 (E_RNA)
where:
Base-Base interactions energy: -201.198
where: short stacking energy: -86.894
Base-Backbone interact. energy: 0.365
local terms energy: -95.225476
where:
bonds (distance) C4'-P energy: -19.189
bonds (distance) P-C4' energy: -16.792
flat angles C4'-P-C4' energy: -23.773
flat angles P-C4'-P energy: -10.595
tors. eta vs tors. theta energy: -24.876
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 220
Temperature: 1.000000
Total energy: -280.096782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.096782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.096782 (E_RNA)
where:
Base-Base interactions energy: -190.993
where: short stacking energy: -89.010
Base-Backbone interact. energy: -0.014
local terms energy: -89.089052
where:
bonds (distance) C4'-P energy: -17.675
bonds (distance) P-C4' energy: -13.037
flat angles C4'-P-C4' energy: -21.579
flat angles P-C4'-P energy: -14.145
tors. eta vs tors. theta energy: -22.654
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 220
Temperature: 1.050000
Total energy: -273.552313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.552313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.552313 (E_RNA)
where:
Base-Base interactions energy: -176.697
where: short stacking energy: -83.017
Base-Backbone interact. energy: -2.342
local terms energy: -94.513253
where:
bonds (distance) C4'-P energy: -20.966
bonds (distance) P-C4' energy: -18.290
flat angles C4'-P-C4' energy: -18.745
flat angles P-C4'-P energy: -15.566
tors. eta vs tors. theta energy: -20.946
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 220
Temperature: 1.100000
Total energy: -292.908844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.908844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.908844 (E_RNA)
where:
Base-Base interactions energy: -199.994
where: short stacking energy: -96.322
Base-Backbone interact. energy: -1.759
local terms energy: -91.155948
where:
bonds (distance) C4'-P energy: -13.769
bonds (distance) P-C4' energy: -17.218
flat angles C4'-P-C4' energy: -19.527
flat angles P-C4'-P energy: -15.417
tors. eta vs tors. theta energy: -25.225
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 220
Temperature: 1.150000
Total energy: -206.446123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.446123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.446123 (E_RNA)
where:
Base-Base interactions energy: -132.150
where: short stacking energy: -71.858
Base-Backbone interact. energy: -0.070
local terms energy: -74.225807
where:
bonds (distance) C4'-P energy: -17.613
bonds (distance) P-C4' energy: -17.459
flat angles C4'-P-C4' energy: -19.588
flat angles P-C4'-P energy: -5.645
tors. eta vs tors. theta energy: -13.921
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 220
Temperature: 1.200000
Total energy: -220.463330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.463330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.463330 (E_RNA)
where:
Base-Base interactions energy: -133.986
where: short stacking energy: -65.290
Base-Backbone interact. energy: -0.138
local terms energy: -86.338671
where:
bonds (distance) C4'-P energy: -19.021
bonds (distance) P-C4' energy: -24.020
flat angles C4'-P-C4' energy: -15.508
flat angles P-C4'-P energy: -14.835
tors. eta vs tors. theta energy: -12.955
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 220
Temperature: 1.250000
Total energy: -212.417798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.417798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.417798 (E_RNA)
where:
Base-Base interactions energy: -152.255
where: short stacking energy: -71.587
Base-Backbone interact. energy: -0.749
local terms energy: -59.413910
where:
bonds (distance) C4'-P energy: -11.966
bonds (distance) P-C4' energy: -20.915
flat angles C4'-P-C4' energy: -10.445
flat angles P-C4'-P energy: -12.850
tors. eta vs tors. theta energy: -3.238
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 220
Temperature: 1.300000
Total energy: -140.047817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.047817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.047817 (E_RNA)
where:
Base-Base interactions energy: -71.976
where: short stacking energy: -52.688
Base-Backbone interact. energy: -0.040
local terms energy: -68.032000
where:
bonds (distance) C4'-P energy: -13.101
bonds (distance) P-C4' energy: -12.876
flat angles C4'-P-C4' energy: -17.777
flat angles P-C4'-P energy: -14.713
tors. eta vs tors. theta energy: -9.565
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 220
Temperature: 1.350000
Total energy: -109.378109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.378109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.378109 (E_RNA)
where:
Base-Base interactions energy: -47.784
where: short stacking energy: -26.555
Base-Backbone interact. energy: 0.528
local terms energy: -62.122456
where:
bonds (distance) C4'-P energy: -14.718
bonds (distance) P-C4' energy: -21.505
flat angles C4'-P-C4' energy: -16.032
flat angles P-C4'-P energy: -9.783
tors. eta vs tors. theta energy: -0.085
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 221
Temperature: 0.900000
Total energy: -345.008816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.008816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.008816 (E_RNA)
where:
Base-Base interactions energy: -246.151
where: short stacking energy: -99.608
Base-Backbone interact. energy: -0.490
local terms energy: -98.367639
where:
bonds (distance) C4'-P energy: -18.631
bonds (distance) P-C4' energy: -21.581
flat angles C4'-P-C4' energy: -20.296
flat angles P-C4'-P energy: -15.255
tors. eta vs tors. theta energy: -22.605
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 221
Temperature: 0.950000
Total energy: -282.977313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.977313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.977313 (E_RNA)
where:
Base-Base interactions energy: -189.643
where: short stacking energy: -93.073
Base-Backbone interact. energy: -0.512
local terms energy: -92.821734
where:
bonds (distance) C4'-P energy: -16.920
bonds (distance) P-C4' energy: -19.208
flat angles C4'-P-C4' energy: -21.285
flat angles P-C4'-P energy: -12.904
tors. eta vs tors. theta energy: -22.505
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 221
Temperature: 1.000000
Total energy: -290.158483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.158483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.158483 (E_RNA)
where:
Base-Base interactions energy: -190.483
where: short stacking energy: -84.154
Base-Backbone interact. energy: -0.688
local terms energy: -98.986807
where:
bonds (distance) C4'-P energy: -18.660
bonds (distance) P-C4' energy: -23.977
flat angles C4'-P-C4' energy: -23.521
flat angles P-C4'-P energy: -12.347
tors. eta vs tors. theta energy: -20.482
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 221
Temperature: 1.050000
Total energy: -291.030089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.030089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.030089 (E_RNA)
where:
Base-Base interactions energy: -198.274
where: short stacking energy: -85.263
Base-Backbone interact. energy: -0.830
local terms energy: -91.926592
where:
bonds (distance) C4'-P energy: -19.994
bonds (distance) P-C4' energy: -17.096
flat angles C4'-P-C4' energy: -21.295
flat angles P-C4'-P energy: -7.097
tors. eta vs tors. theta energy: -26.444
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 221
Temperature: 1.100000
Total energy: -268.085901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.085901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.085901 (E_RNA)
where:
Base-Base interactions energy: -173.841
where: short stacking energy: -76.152
Base-Backbone interact. energy: -1.072
local terms energy: -93.173206
where:
bonds (distance) C4'-P energy: -20.138
bonds (distance) P-C4' energy: -20.690
flat angles C4'-P-C4' energy: -19.530
flat angles P-C4'-P energy: -14.112
tors. eta vs tors. theta energy: -18.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 221
Temperature: 1.150000
Total energy: -234.827154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.827154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.827154 (E_RNA)
where:
Base-Base interactions energy: -149.321
where: short stacking energy: -73.640
Base-Backbone interact. energy: 2.124
local terms energy: -87.629940
where:
bonds (distance) C4'-P energy: -21.007
bonds (distance) P-C4' energy: -18.561
flat angles C4'-P-C4' energy: -16.785
flat angles P-C4'-P energy: -13.267
tors. eta vs tors. theta energy: -18.008
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 221
Temperature: 1.200000
Total energy: -197.315056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.315056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.315056 (E_RNA)
where:
Base-Base interactions energy: -132.648
where: short stacking energy: -64.111
Base-Backbone interact. energy: -0.435
local terms energy: -64.232450
where:
bonds (distance) C4'-P energy: -10.811
bonds (distance) P-C4' energy: -11.003
flat angles C4'-P-C4' energy: -18.262
flat angles P-C4'-P energy: -16.686
tors. eta vs tors. theta energy: -7.470
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 221
Temperature: 1.250000
Total energy: -205.449255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.449255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.449255 (E_RNA)
where:
Base-Base interactions energy: -139.089
where: short stacking energy: -66.922
Base-Backbone interact. energy: 0.134
local terms energy: -66.494433
where:
bonds (distance) C4'-P energy: -12.624
bonds (distance) P-C4' energy: -13.111
flat angles C4'-P-C4' energy: -17.991
flat angles P-C4'-P energy: -11.734
tors. eta vs tors. theta energy: -11.034
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 221
Temperature: 1.300000
Total energy: -112.903603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.903603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.903603 (E_RNA)
where:
Base-Base interactions energy: -45.005
where: short stacking energy: -39.494
Base-Backbone interact. energy: -0.148
local terms energy: -67.750437
where:
bonds (distance) C4'-P energy: -19.735
bonds (distance) P-C4' energy: -17.978
flat angles C4'-P-C4' energy: -12.489
flat angles P-C4'-P energy: -14.972
tors. eta vs tors. theta energy: -2.576
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 221
Temperature: 1.350000
Total energy: -108.212068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.212068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.212068 (E_RNA)
where:
Base-Base interactions energy: -50.009
where: short stacking energy: -41.832
Base-Backbone interact. energy: -0.537
local terms energy: -57.666670
where:
bonds (distance) C4'-P energy: -17.003
bonds (distance) P-C4' energy: -17.755
flat angles C4'-P-C4' energy: -17.620
flat angles P-C4'-P energy: 0.806
tors. eta vs tors. theta energy: -6.094
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 222
Temperature: 0.900000
Total energy: -348.865423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.865423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.865423 (E_RNA)
where:
Base-Base interactions energy: -243.338
where: short stacking energy: -105.760
Base-Backbone interact. energy: -0.225
local terms energy: -105.301940
where:
bonds (distance) C4'-P energy: -19.351
bonds (distance) P-C4' energy: -21.076
flat angles C4'-P-C4' energy: -23.164
flat angles P-C4'-P energy: -16.051
tors. eta vs tors. theta energy: -25.659
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 222
Temperature: 0.950000
Total energy: -278.443198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.443198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.443198 (E_RNA)
where:
Base-Base interactions energy: -188.784
where: short stacking energy: -93.400
Base-Backbone interact. energy: -0.127
local terms energy: -89.531744
where:
bonds (distance) C4'-P energy: -17.457
bonds (distance) P-C4' energy: -12.610
flat angles C4'-P-C4' energy: -20.673
flat angles P-C4'-P energy: -13.463
tors. eta vs tors. theta energy: -25.329
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 222
Temperature: 1.000000
Total energy: -300.611881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.611881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.611881 (E_RNA)
where:
Base-Base interactions energy: -206.120
where: short stacking energy: -94.124
Base-Backbone interact. energy: 1.199
local terms energy: -95.691005
where:
bonds (distance) C4'-P energy: -16.660
bonds (distance) P-C4' energy: -19.813
flat angles C4'-P-C4' energy: -22.432
flat angles P-C4'-P energy: -13.018
tors. eta vs tors. theta energy: -23.769
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 222
Temperature: 1.050000
Total energy: -286.054581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.054581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.054581 (E_RNA)
where:
Base-Base interactions energy: -185.579
where: short stacking energy: -85.114
Base-Backbone interact. energy: -1.472
local terms energy: -99.003988
where:
bonds (distance) C4'-P energy: -18.536
bonds (distance) P-C4' energy: -20.743
flat angles C4'-P-C4' energy: -19.408
flat angles P-C4'-P energy: -16.332
tors. eta vs tors. theta energy: -23.984
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 222
Temperature: 1.100000
Total energy: -263.092964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.092964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.092964 (E_RNA)
where:
Base-Base interactions energy: -177.404
where: short stacking energy: -81.275
Base-Backbone interact. energy: -0.151
local terms energy: -85.537594
where:
bonds (distance) C4'-P energy: -14.963
bonds (distance) P-C4' energy: -17.194
flat angles C4'-P-C4' energy: -21.695
flat angles P-C4'-P energy: -11.793
tors. eta vs tors. theta energy: -19.893
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 222
Temperature: 1.150000
Total energy: -219.053277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.053277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.053277 (E_RNA)
where:
Base-Base interactions energy: -146.015
where: short stacking energy: -71.450
Base-Backbone interact. energy: -2.428
local terms energy: -70.610696
where:
bonds (distance) C4'-P energy: -10.870
bonds (distance) P-C4' energy: -20.120
flat angles C4'-P-C4' energy: -12.912
flat angles P-C4'-P energy: -12.434
tors. eta vs tors. theta energy: -14.275
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 222
Temperature: 1.200000
Total energy: -231.269625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.269625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.269625 (E_RNA)
where:
Base-Base interactions energy: -150.771
where: short stacking energy: -62.610
Base-Backbone interact. energy: -0.093
local terms energy: -80.405098
where:
bonds (distance) C4'-P energy: -16.330
bonds (distance) P-C4' energy: -18.953
flat angles C4'-P-C4' energy: -17.766
flat angles P-C4'-P energy: -12.932
tors. eta vs tors. theta energy: -14.425
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 222
Temperature: 1.250000
Total energy: -190.106456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.106456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.106456 (E_RNA)
where:
Base-Base interactions energy: -112.688
where: short stacking energy: -52.477
Base-Backbone interact. energy: -0.222
local terms energy: -77.196247
where:
bonds (distance) C4'-P energy: -20.519
bonds (distance) P-C4' energy: -19.534
flat angles C4'-P-C4' energy: -12.948
flat angles P-C4'-P energy: -13.005
tors. eta vs tors. theta energy: -11.191
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 222
Temperature: 1.300000
Total energy: -117.804278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.804278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.804278 (E_RNA)
where:
Base-Base interactions energy: -48.114
where: short stacking energy: -41.565
Base-Backbone interact. energy: -0.450
local terms energy: -69.240639
where:
bonds (distance) C4'-P energy: -15.708
bonds (distance) P-C4' energy: -18.417
flat angles C4'-P-C4' energy: -20.052
flat angles P-C4'-P energy: -10.338
tors. eta vs tors. theta energy: -4.726
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 222
Temperature: 1.350000
Total energy: -107.958609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.958609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.958609 (E_RNA)
where:
Base-Base interactions energy: -41.021
where: short stacking energy: -37.716
Base-Backbone interact. energy: -0.308
local terms energy: -66.629518
where:
bonds (distance) C4'-P energy: -18.965
bonds (distance) P-C4' energy: -17.381
flat angles C4'-P-C4' energy: -16.913
flat angles P-C4'-P energy: -11.187
tors. eta vs tors. theta energy: -2.183
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 223
Temperature: 0.900000
Total energy: -348.068466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.068466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.068466 (E_RNA)
where:
Base-Base interactions energy: -253.130
where: short stacking energy: -105.911
Base-Backbone interact. energy: -0.310
local terms energy: -94.628935
where:
bonds (distance) C4'-P energy: -16.811
bonds (distance) P-C4' energy: -15.392
flat angles C4'-P-C4' energy: -18.790
flat angles P-C4'-P energy: -16.634
tors. eta vs tors. theta energy: -27.002
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 223
Temperature: 0.950000
Total energy: -320.067439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.067439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.067439 (E_RNA)
where:
Base-Base interactions energy: -220.644
where: short stacking energy: -98.754
Base-Backbone interact. energy: -0.416
local terms energy: -99.007970
where:
bonds (distance) C4'-P energy: -17.915
bonds (distance) P-C4' energy: -19.118
flat angles C4'-P-C4' energy: -19.627
flat angles P-C4'-P energy: -14.656
tors. eta vs tors. theta energy: -27.691
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 223
Temperature: 1.000000
Total energy: -272.290320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.290320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.290320 (E_RNA)
where:
Base-Base interactions energy: -183.986
where: short stacking energy: -82.691
Base-Backbone interact. energy: -0.183
local terms energy: -88.120448
where:
bonds (distance) C4'-P energy: -19.752
bonds (distance) P-C4' energy: -19.611
flat angles C4'-P-C4' energy: -19.812
flat angles P-C4'-P energy: -8.611
tors. eta vs tors. theta energy: -20.334
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 223
Temperature: 1.050000
Total energy: -277.921241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.921241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.921241 (E_RNA)
where:
Base-Base interactions energy: -196.600
where: short stacking energy: -90.057
Base-Backbone interact. energy: -0.071
local terms energy: -81.250202
where:
bonds (distance) C4'-P energy: -12.048
bonds (distance) P-C4' energy: -17.499
flat angles C4'-P-C4' energy: -17.101
flat angles P-C4'-P energy: -15.883
tors. eta vs tors. theta energy: -18.718
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 223
Temperature: 1.100000
Total energy: -256.583571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.583571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.583571 (E_RNA)
where:
Base-Base interactions energy: -170.727
where: short stacking energy: -71.681
Base-Backbone interact. energy: -0.079
local terms energy: -85.778126
where:
bonds (distance) C4'-P energy: -11.930
bonds (distance) P-C4' energy: -17.288
flat angles C4'-P-C4' energy: -22.092
flat angles P-C4'-P energy: -14.768
tors. eta vs tors. theta energy: -19.701
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 223
Temperature: 1.150000
Total energy: -250.413179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.413179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.413179 (E_RNA)
where:
Base-Base interactions energy: -161.692
where: short stacking energy: -85.295
Base-Backbone interact. energy: -0.416
local terms energy: -88.305343
where:
bonds (distance) C4'-P energy: -16.905
bonds (distance) P-C4' energy: -16.925
flat angles C4'-P-C4' energy: -21.608
flat angles P-C4'-P energy: -12.044
tors. eta vs tors. theta energy: -20.823
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 223
Temperature: 1.200000
Total energy: -208.553975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.553975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.553975 (E_RNA)
where:
Base-Base interactions energy: -127.797
where: short stacking energy: -59.773
Base-Backbone interact. energy: -0.617
local terms energy: -80.140160
where:
bonds (distance) C4'-P energy: -17.869
bonds (distance) P-C4' energy: -21.785
flat angles C4'-P-C4' energy: -19.099
flat angles P-C4'-P energy: -11.222
tors. eta vs tors. theta energy: -10.164
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 223
Temperature: 1.250000
Total energy: -173.514770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.514770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.514770 (E_RNA)
where:
Base-Base interactions energy: -104.319
where: short stacking energy: -49.010
Base-Backbone interact. energy: 0.114
local terms energy: -69.309377
where:
bonds (distance) C4'-P energy: -19.890
bonds (distance) P-C4' energy: -20.896
flat angles C4'-P-C4' energy: -12.785
flat angles P-C4'-P energy: -13.376
tors. eta vs tors. theta energy: -2.362
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 223
Temperature: 1.300000
Total energy: -115.223372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.223372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.223372 (E_RNA)
where:
Base-Base interactions energy: -45.133
where: short stacking energy: -36.671
Base-Backbone interact. energy: -0.270
local terms energy: -69.820735
where:
bonds (distance) C4'-P energy: -19.136
bonds (distance) P-C4' energy: -17.619
flat angles C4'-P-C4' energy: -16.936
flat angles P-C4'-P energy: -10.340
tors. eta vs tors. theta energy: -5.790
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 223
Temperature: 1.350000
Total energy: -106.303699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.303699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.303699 (E_RNA)
where:
Base-Base interactions energy: -45.674
where: short stacking energy: -45.674
Base-Backbone interact. energy: -0.286
local terms energy: -60.343767
where:
bonds (distance) C4'-P energy: -21.455
bonds (distance) P-C4' energy: -13.482
flat angles C4'-P-C4' energy: -16.272
flat angles P-C4'-P energy: -4.783
tors. eta vs tors. theta energy: -4.352
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 224
Temperature: 0.900000
Total energy: -342.488904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.488904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.488904 (E_RNA)
where:
Base-Base interactions energy: -239.550
where: short stacking energy: -96.476
Base-Backbone interact. energy: -0.399
local terms energy: -102.539958
where:
bonds (distance) C4'-P energy: -19.336
bonds (distance) P-C4' energy: -22.066
flat angles C4'-P-C4' energy: -23.572
flat angles P-C4'-P energy: -13.158
tors. eta vs tors. theta energy: -24.409
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 224
Temperature: 0.950000
Total energy: -306.497772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.497772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.497772 (E_RNA)
where:
Base-Base interactions energy: -206.676
where: short stacking energy: -85.208
Base-Backbone interact. energy: -0.124
local terms energy: -99.697488
where:
bonds (distance) C4'-P energy: -20.775
bonds (distance) P-C4' energy: -21.026
flat angles C4'-P-C4' energy: -23.965
flat angles P-C4'-P energy: -13.124
tors. eta vs tors. theta energy: -20.807
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 224
Temperature: 1.000000
Total energy: -282.802241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.802241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.802241 (E_RNA)
where:
Base-Base interactions energy: -200.480
where: short stacking energy: -80.587
Base-Backbone interact. energy: -0.227
local terms energy: -82.095878
where:
bonds (distance) C4'-P energy: -18.672
bonds (distance) P-C4' energy: -18.742
flat angles C4'-P-C4' energy: -20.300
flat angles P-C4'-P energy: -8.377
tors. eta vs tors. theta energy: -16.006
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 224
Temperature: 1.050000
Total energy: -280.731123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.731123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.731123 (E_RNA)
where:
Base-Base interactions energy: -188.263
where: short stacking energy: -93.214
Base-Backbone interact. energy: -1.347
local terms energy: -91.121369
where:
bonds (distance) C4'-P energy: -14.835
bonds (distance) P-C4' energy: -20.793
flat angles C4'-P-C4' energy: -19.828
flat angles P-C4'-P energy: -12.350
tors. eta vs tors. theta energy: -23.315
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 224
Temperature: 1.100000
Total energy: -241.309509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.309509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.309509 (E_RNA)
where:
Base-Base interactions energy: -164.642
where: short stacking energy: -63.691
Base-Backbone interact. energy: 0.221
local terms energy: -76.888997
where:
bonds (distance) C4'-P energy: -18.210
bonds (distance) P-C4' energy: -19.595
flat angles C4'-P-C4' energy: -16.290
flat angles P-C4'-P energy: -14.872
tors. eta vs tors. theta energy: -7.923
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 224
Temperature: 1.150000
Total energy: -252.624615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.624615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.624615 (E_RNA)
where:
Base-Base interactions energy: -170.744
where: short stacking energy: -69.338
Base-Backbone interact. energy: -0.187
local terms energy: -81.693614
where:
bonds (distance) C4'-P energy: -14.761
bonds (distance) P-C4' energy: -13.695
flat angles C4'-P-C4' energy: -18.599
flat angles P-C4'-P energy: -12.999
tors. eta vs tors. theta energy: -21.640
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 224
Temperature: 1.200000
Total energy: -221.957341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.957341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.957341 (E_RNA)
where:
Base-Base interactions energy: -141.036
where: short stacking energy: -69.714
Base-Backbone interact. energy: -1.077
local terms energy: -79.844343
where:
bonds (distance) C4'-P energy: -17.737
bonds (distance) P-C4' energy: -12.988
flat angles C4'-P-C4' energy: -17.341
flat angles P-C4'-P energy: -14.075
tors. eta vs tors. theta energy: -17.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 224
Temperature: 1.250000
Total energy: -183.996338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.996338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.996338 (E_RNA)
where:
Base-Base interactions energy: -109.348
where: short stacking energy: -53.366
Base-Backbone interact. energy: -0.191
local terms energy: -74.456398
where:
bonds (distance) C4'-P energy: -14.421
bonds (distance) P-C4' energy: -16.635
flat angles C4'-P-C4' energy: -16.206
flat angles P-C4'-P energy: -12.911
tors. eta vs tors. theta energy: -14.283
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 224
Temperature: 1.300000
Total energy: -111.751787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.751787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.751787 (E_RNA)
where:
Base-Base interactions energy: -51.786
where: short stacking energy: -39.891
Base-Backbone interact. energy: -0.542
local terms energy: -59.423924
where:
bonds (distance) C4'-P energy: -17.960
bonds (distance) P-C4' energy: -15.869
flat angles C4'-P-C4' energy: -11.589
flat angles P-C4'-P energy: -12.994
tors. eta vs tors. theta energy: -1.011
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 224
Temperature: 1.350000
Total energy: -109.376539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.376539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.376539 (E_RNA)
where:
Base-Base interactions energy: -45.242
where: short stacking energy: -24.113
Base-Backbone interact. energy: -0.140
local terms energy: -63.994438
where:
bonds (distance) C4'-P energy: -18.363
bonds (distance) P-C4' energy: -19.384
flat angles C4'-P-C4' energy: -15.810
flat angles P-C4'-P energy: -6.854
tors. eta vs tors. theta energy: -3.584
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 225
Temperature: 0.900000
Total energy: -335.997141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.997141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.997141 (E_RNA)
where:
Base-Base interactions energy: -242.233
where: short stacking energy: -98.052
Base-Backbone interact. energy: -0.742
local terms energy: -93.022258
where:
bonds (distance) C4'-P energy: -16.169
bonds (distance) P-C4' energy: -21.841
flat angles C4'-P-C4' energy: -23.443
flat angles P-C4'-P energy: -11.102
tors. eta vs tors. theta energy: -20.467
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 225
Temperature: 0.950000
Total energy: -300.984868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.984868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.984868 (E_RNA)
where:
Base-Base interactions energy: -206.933
where: short stacking energy: -92.619
Base-Backbone interact. energy: -0.676
local terms energy: -93.375049
where:
bonds (distance) C4'-P energy: -17.584
bonds (distance) P-C4' energy: -20.299
flat angles C4'-P-C4' energy: -17.011
flat angles P-C4'-P energy: -15.436
tors. eta vs tors. theta energy: -23.045
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 225
Temperature: 1.000000
Total energy: -282.797351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.797351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.797351 (E_RNA)
where:
Base-Base interactions energy: -194.830
where: short stacking energy: -83.148
Base-Backbone interact. energy: -0.839
local terms energy: -87.128694
where:
bonds (distance) C4'-P energy: -17.734
bonds (distance) P-C4' energy: -21.575
flat angles C4'-P-C4' energy: -20.202
flat angles P-C4'-P energy: -8.887
tors. eta vs tors. theta energy: -18.730
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 225
Temperature: 1.050000
Total energy: -288.858720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.858720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.858720 (E_RNA)
where:
Base-Base interactions energy: -203.056
where: short stacking energy: -96.260
Base-Backbone interact. energy: 0.210
local terms energy: -86.012635
where:
bonds (distance) C4'-P energy: -16.899
bonds (distance) P-C4' energy: -8.763
flat angles C4'-P-C4' energy: -20.711
flat angles P-C4'-P energy: -15.695
tors. eta vs tors. theta energy: -23.944
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 225
Temperature: 1.100000
Total energy: -268.777494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.777494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.777494 (E_RNA)
where:
Base-Base interactions energy: -179.804
where: short stacking energy: -80.705
Base-Backbone interact. energy: -0.759
local terms energy: -88.214997
where:
bonds (distance) C4'-P energy: -16.532
bonds (distance) P-C4' energy: -19.646
flat angles C4'-P-C4' energy: -17.237
flat angles P-C4'-P energy: -13.372
tors. eta vs tors. theta energy: -21.427
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 225
Temperature: 1.150000
Total energy: -230.556196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.556196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.556196 (E_RNA)
where:
Base-Base interactions energy: -154.692
where: short stacking energy: -83.239
Base-Backbone interact. energy: -0.583
local terms energy: -75.281448
where:
bonds (distance) C4'-P energy: -16.138
bonds (distance) P-C4' energy: -12.998
flat angles C4'-P-C4' energy: -17.884
flat angles P-C4'-P energy: -6.900
tors. eta vs tors. theta energy: -21.361
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 225
Temperature: 1.200000
Total energy: -227.418320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.418320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.418320 (E_RNA)
where:
Base-Base interactions energy: -157.248
where: short stacking energy: -68.584
Base-Backbone interact. energy: -0.257
local terms energy: -69.913410
where:
bonds (distance) C4'-P energy: -15.099
bonds (distance) P-C4' energy: -14.590
flat angles C4'-P-C4' energy: -13.531
flat angles P-C4'-P energy: -10.267
tors. eta vs tors. theta energy: -16.426
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 225
Temperature: 1.250000
Total energy: -175.566797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.566797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.566797 (E_RNA)
where:
Base-Base interactions energy: -103.347
where: short stacking energy: -52.429
Base-Backbone interact. energy: -0.085
local terms energy: -72.135356
where:
bonds (distance) C4'-P energy: -14.532
bonds (distance) P-C4' energy: -16.553
flat angles C4'-P-C4' energy: -19.138
flat angles P-C4'-P energy: -14.654
tors. eta vs tors. theta energy: -7.259
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 225
Temperature: 1.300000
Total energy: -113.969210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.969210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.969210 (E_RNA)
where:
Base-Base interactions energy: -55.906
where: short stacking energy: -27.802
Base-Backbone interact. energy: 2.031
local terms energy: -60.094140
where:
bonds (distance) C4'-P energy: -16.472
bonds (distance) P-C4' energy: -17.356
flat angles C4'-P-C4' energy: -14.512
flat angles P-C4'-P energy: -11.402
tors. eta vs tors. theta energy: -0.353
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 225
Temperature: 1.350000
Total energy: -105.866831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.866831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.866831 (E_RNA)
where:
Base-Base interactions energy: -44.066
where: short stacking energy: -44.066
Base-Backbone interact. energy: -0.907
local terms energy: -60.894389
where:
bonds (distance) C4'-P energy: -19.211
bonds (distance) P-C4' energy: -20.299
flat angles C4'-P-C4' energy: -14.950
flat angles P-C4'-P energy: -7.518
tors. eta vs tors. theta energy: 1.084
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 226
Temperature: 0.900000
Total energy: -344.580451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.580451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.580451 (E_RNA)
where:
Base-Base interactions energy: -246.103
where: short stacking energy: -90.684
Base-Backbone interact. energy: -0.738
local terms energy: -97.739960
where:
bonds (distance) C4'-P energy: -17.619
bonds (distance) P-C4' energy: -20.057
flat angles C4'-P-C4' energy: -21.182
flat angles P-C4'-P energy: -17.748
tors. eta vs tors. theta energy: -21.134
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 226
Temperature: 0.950000
Total energy: -301.051495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.051495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.051495 (E_RNA)
where:
Base-Base interactions energy: -201.867
where: short stacking energy: -95.758
Base-Backbone interact. energy: -0.516
local terms energy: -98.668349
where:
bonds (distance) C4'-P energy: -18.440
bonds (distance) P-C4' energy: -21.191
flat angles C4'-P-C4' energy: -21.235
flat angles P-C4'-P energy: -15.323
tors. eta vs tors. theta energy: -22.478
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 226
Temperature: 1.000000
Total energy: -273.005614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.005614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.005614 (E_RNA)
where:
Base-Base interactions energy: -183.287
where: short stacking energy: -84.177
Base-Backbone interact. energy: -0.043
local terms energy: -89.675782
where:
bonds (distance) C4'-P energy: -18.380
bonds (distance) P-C4' energy: -16.297
flat angles C4'-P-C4' energy: -22.574
flat angles P-C4'-P energy: -9.742
tors. eta vs tors. theta energy: -22.683
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 226
Temperature: 1.050000
Total energy: -282.719926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.719926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.719926 (E_RNA)
where:
Base-Base interactions energy: -192.400
where: short stacking energy: -95.586
Base-Backbone interact. energy: -0.152
local terms energy: -90.168447
where:
bonds (distance) C4'-P energy: -17.268
bonds (distance) P-C4' energy: -19.154
flat angles C4'-P-C4' energy: -17.250
flat angles P-C4'-P energy: -13.197
tors. eta vs tors. theta energy: -23.300
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 226
Temperature: 1.100000
Total energy: -267.459307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.459307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.459307 (E_RNA)
where:
Base-Base interactions energy: -179.780
where: short stacking energy: -84.744
Base-Backbone interact. energy: -0.300
local terms energy: -87.379097
where:
bonds (distance) C4'-P energy: -18.424
bonds (distance) P-C4' energy: -19.523
flat angles C4'-P-C4' energy: -16.409
flat angles P-C4'-P energy: -9.708
tors. eta vs tors. theta energy: -23.315
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 226
Temperature: 1.150000
Total energy: -222.882064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.882064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.882064 (E_RNA)
where:
Base-Base interactions energy: -132.526
where: short stacking energy: -69.798
Base-Backbone interact. energy: -0.557
local terms energy: -89.799208
where:
bonds (distance) C4'-P energy: -18.966
bonds (distance) P-C4' energy: -17.263
flat angles C4'-P-C4' energy: -18.525
flat angles P-C4'-P energy: -16.393
tors. eta vs tors. theta energy: -18.653
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 226
Temperature: 1.200000
Total energy: -192.414546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.414546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.414546 (E_RNA)
where:
Base-Base interactions energy: -110.951
where: short stacking energy: -54.708
Base-Backbone interact. energy: 1.285
local terms energy: -82.749203
where:
bonds (distance) C4'-P energy: -20.448
bonds (distance) P-C4' energy: -19.051
flat angles C4'-P-C4' energy: -23.517
flat angles P-C4'-P energy: -9.566
tors. eta vs tors. theta energy: -10.168
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 226
Temperature: 1.250000
Total energy: -239.140772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.140772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.140772 (E_RNA)
where:
Base-Base interactions energy: -153.494
where: short stacking energy: -65.890
Base-Backbone interact. energy: 1.050
local terms energy: -86.696866
where:
bonds (distance) C4'-P energy: -14.267
bonds (distance) P-C4' energy: -23.042
flat angles C4'-P-C4' energy: -20.478
flat angles P-C4'-P energy: -12.377
tors. eta vs tors. theta energy: -16.532
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 226
Temperature: 1.300000
Total energy: -192.164662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.164662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.164662 (E_RNA)
where:
Base-Base interactions energy: -112.052
where: short stacking energy: -45.036
Base-Backbone interact. energy: -1.702
local terms energy: -78.410461
where:
bonds (distance) C4'-P energy: -16.697
bonds (distance) P-C4' energy: -21.545
flat angles C4'-P-C4' energy: -18.333
flat angles P-C4'-P energy: -10.258
tors. eta vs tors. theta energy: -11.577
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 226
Temperature: 1.350000
Total energy: -90.724106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.724106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.724106 (E_RNA)
where:
Base-Base interactions energy: -38.177
where: short stacking energy: -26.639
Base-Backbone interact. energy: -0.320
local terms energy: -52.227066
where:
bonds (distance) C4'-P energy: -14.242
bonds (distance) P-C4' energy: -17.723
flat angles C4'-P-C4' energy: -15.032
flat angles P-C4'-P energy: -10.546
tors. eta vs tors. theta energy: 5.317
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 227
Temperature: 0.900000
Total energy: -345.143952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.143952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.143952 (E_RNA)
where:
Base-Base interactions energy: -253.216
where: short stacking energy: -93.007
Base-Backbone interact. energy: -1.178
local terms energy: -90.749666
where:
bonds (distance) C4'-P energy: -14.652
bonds (distance) P-C4' energy: -17.017
flat angles C4'-P-C4' energy: -22.084
flat angles P-C4'-P energy: -14.717
tors. eta vs tors. theta energy: -22.280
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 227
Temperature: 0.950000
Total energy: -282.976142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.976142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.976142 (E_RNA)
where:
Base-Base interactions energy: -194.521
where: short stacking energy: -87.748
Base-Backbone interact. energy: -1.786
local terms energy: -86.668680
where:
bonds (distance) C4'-P energy: -17.203
bonds (distance) P-C4' energy: -18.744
flat angles C4'-P-C4' energy: -19.886
flat angles P-C4'-P energy: -11.189
tors. eta vs tors. theta energy: -19.647
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 227
Temperature: 1.000000
Total energy: -293.960463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.960463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.960463 (E_RNA)
where:
Base-Base interactions energy: -206.099
where: short stacking energy: -90.660
Base-Backbone interact. energy: -0.165
local terms energy: -87.695887
where:
bonds (distance) C4'-P energy: -16.267
bonds (distance) P-C4' energy: -15.574
flat angles C4'-P-C4' energy: -18.791
flat angles P-C4'-P energy: -10.373
tors. eta vs tors. theta energy: -26.691
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 227
Temperature: 1.050000
Total energy: -284.114318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.114318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.114318 (E_RNA)
where:
Base-Base interactions energy: -190.337
where: short stacking energy: -91.127
Base-Backbone interact. energy: -0.101
local terms energy: -93.675461
where:
bonds (distance) C4'-P energy: -17.471
bonds (distance) P-C4' energy: -20.399
flat angles C4'-P-C4' energy: -18.484
flat angles P-C4'-P energy: -16.305
tors. eta vs tors. theta energy: -21.017
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 227
Temperature: 1.100000
Total energy: -280.902191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.902191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.902191 (E_RNA)
where:
Base-Base interactions energy: -202.430
where: short stacking energy: -83.318
Base-Backbone interact. energy: -0.935
local terms energy: -77.537306
where:
bonds (distance) C4'-P energy: -10.536
bonds (distance) P-C4' energy: -17.254
flat angles C4'-P-C4' energy: -19.451
flat angles P-C4'-P energy: -11.346
tors. eta vs tors. theta energy: -18.951
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 227
Temperature: 1.150000
Total energy: -223.646465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.646465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.646465 (E_RNA)
where:
Base-Base interactions energy: -141.664
where: short stacking energy: -79.629
Base-Backbone interact. energy: -0.186
local terms energy: -81.796328
where:
bonds (distance) C4'-P energy: -12.791
bonds (distance) P-C4' energy: -18.065
flat angles C4'-P-C4' energy: -20.728
flat angles P-C4'-P energy: -12.595
tors. eta vs tors. theta energy: -17.617
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 227
Temperature: 1.200000
Total energy: -186.542460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.542460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.542460 (E_RNA)
where:
Base-Base interactions energy: -111.010
where: short stacking energy: -58.722
Base-Backbone interact. energy: -0.204
local terms energy: -75.328872
where:
bonds (distance) C4'-P energy: -16.246
bonds (distance) P-C4' energy: -15.409
flat angles C4'-P-C4' energy: -13.877
flat angles P-C4'-P energy: -15.410
tors. eta vs tors. theta energy: -14.388
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 227
Temperature: 1.250000
Total energy: -243.282642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.282642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.282642 (E_RNA)
where:
Base-Base interactions energy: -161.093
where: short stacking energy: -91.131
Base-Backbone interact. energy: -0.096
local terms energy: -82.093833
where:
bonds (distance) C4'-P energy: -15.406
bonds (distance) P-C4' energy: -16.076
flat angles C4'-P-C4' energy: -17.772
flat angles P-C4'-P energy: -14.152
tors. eta vs tors. theta energy: -18.688
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 227
Temperature: 1.300000
Total energy: -189.641324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.641324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.641324 (E_RNA)
where:
Base-Base interactions energy: -120.459
where: short stacking energy: -43.036
Base-Backbone interact. energy: -0.604
local terms energy: -68.579022
where:
bonds (distance) C4'-P energy: -16.595
bonds (distance) P-C4' energy: -18.382
flat angles C4'-P-C4' energy: -19.163
flat angles P-C4'-P energy: -12.678
tors. eta vs tors. theta energy: -1.762
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 227
Temperature: 1.350000
Total energy: -99.351175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.351175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.351175 (E_RNA)
where:
Base-Base interactions energy: -42.147
where: short stacking energy: -28.757
Base-Backbone interact. energy: -0.665
local terms energy: -56.538490
where:
bonds (distance) C4'-P energy: -18.188
bonds (distance) P-C4' energy: -18.940
flat angles C4'-P-C4' energy: -14.673
flat angles P-C4'-P energy: -10.374
tors. eta vs tors. theta energy: 5.636
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 228
Temperature: 0.900000
Total energy: -346.182105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.182105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.182105 (E_RNA)
where:
Base-Base interactions energy: -247.375
where: short stacking energy: -93.127
Base-Backbone interact. energy: -1.843
local terms energy: -96.964538
where:
bonds (distance) C4'-P energy: -17.411
bonds (distance) P-C4' energy: -19.855
flat angles C4'-P-C4' energy: -21.334
flat angles P-C4'-P energy: -16.288
tors. eta vs tors. theta energy: -22.076
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 228
Temperature: 0.950000
Total energy: -292.259903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.259903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.259903 (E_RNA)
where:
Base-Base interactions energy: -198.629
where: short stacking energy: -94.399
Base-Backbone interact. energy: -0.106
local terms energy: -93.525424
where:
bonds (distance) C4'-P energy: -21.091
bonds (distance) P-C4' energy: -17.783
flat angles C4'-P-C4' energy: -17.279
flat angles P-C4'-P energy: -12.593
tors. eta vs tors. theta energy: -24.781
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 228
Temperature: 1.000000
Total energy: -295.751800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.751800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.751800 (E_RNA)
where:
Base-Base interactions energy: -195.725
where: short stacking energy: -106.777
Base-Backbone interact. energy: -0.365
local terms energy: -99.661967
where:
bonds (distance) C4'-P energy: -13.066
bonds (distance) P-C4' energy: -19.849
flat angles C4'-P-C4' energy: -23.003
flat angles P-C4'-P energy: -13.721
tors. eta vs tors. theta energy: -30.023
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 228
Temperature: 1.050000
Total energy: -300.629824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.629824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.629824 (E_RNA)
where:
Base-Base interactions energy: -210.114
where: short stacking energy: -87.487
Base-Backbone interact. energy: -0.895
local terms energy: -89.620548
where:
bonds (distance) C4'-P energy: -15.994
bonds (distance) P-C4' energy: -16.543
flat angles C4'-P-C4' energy: -21.304
flat angles P-C4'-P energy: -14.386
tors. eta vs tors. theta energy: -21.394
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 228
Temperature: 1.100000
Total energy: -229.127046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.127046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.127046 (E_RNA)
where:
Base-Base interactions energy: -142.964
where: short stacking energy: -65.258
Base-Backbone interact. energy: -0.068
local terms energy: -86.094761
where:
bonds (distance) C4'-P energy: -12.951
bonds (distance) P-C4' energy: -21.011
flat angles C4'-P-C4' energy: -19.268
flat angles P-C4'-P energy: -13.289
tors. eta vs tors. theta energy: -19.576
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 228
Temperature: 1.150000
Total energy: -253.593255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.593255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.593255 (E_RNA)
where:
Base-Base interactions energy: -180.442
where: short stacking energy: -74.063
Base-Backbone interact. energy: -0.232
local terms energy: -72.919637
where:
bonds (distance) C4'-P energy: -14.722
bonds (distance) P-C4' energy: -16.849
flat angles C4'-P-C4' energy: -21.085
flat angles P-C4'-P energy: -5.888
tors. eta vs tors. theta energy: -14.375
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 228
Temperature: 1.200000
Total energy: -251.023752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.023752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.023752 (E_RNA)
where:
Base-Base interactions energy: -175.667
where: short stacking energy: -67.477
Base-Backbone interact. energy: -0.167
local terms energy: -75.189988
where:
bonds (distance) C4'-P energy: -8.377
bonds (distance) P-C4' energy: -19.980
flat angles C4'-P-C4' energy: -18.906
flat angles P-C4'-P energy: -16.368
tors. eta vs tors. theta energy: -11.558
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 228
Temperature: 1.250000
Total energy: -232.480435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.480435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.480435 (E_RNA)
where:
Base-Base interactions energy: -150.286
where: short stacking energy: -78.390
Base-Backbone interact. energy: -0.290
local terms energy: -81.904217
where:
bonds (distance) C4'-P energy: -18.618
bonds (distance) P-C4' energy: -11.964
flat angles C4'-P-C4' energy: -19.012
flat angles P-C4'-P energy: -8.540
tors. eta vs tors. theta energy: -23.770
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 228
Temperature: 1.300000
Total energy: -186.390527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.390527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.390527 (E_RNA)
where:
Base-Base interactions energy: -117.314
where: short stacking energy: -53.165
Base-Backbone interact. energy: -0.907
local terms energy: -68.169268
where:
bonds (distance) C4'-P energy: -17.418
bonds (distance) P-C4' energy: -16.641
flat angles C4'-P-C4' energy: -12.318
flat angles P-C4'-P energy: -10.009
tors. eta vs tors. theta energy: -11.783
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 228
Temperature: 1.350000
Total energy: -105.947660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.947660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.947660 (E_RNA)
where:
Base-Base interactions energy: -44.341
where: short stacking energy: -44.144
Base-Backbone interact. energy: -1.253
local terms energy: -60.353490
where:
bonds (distance) C4'-P energy: -14.096
bonds (distance) P-C4' energy: -16.548
flat angles C4'-P-C4' energy: -17.458
flat angles P-C4'-P energy: -10.259
tors. eta vs tors. theta energy: -1.993
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 229
Temperature: 0.900000
Total energy: -348.290788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.290788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.290788 (E_RNA)
where:
Base-Base interactions energy: -247.514
where: short stacking energy: -102.760
Base-Backbone interact. energy: -0.776
local terms energy: -100.000460
where:
bonds (distance) C4'-P energy: -19.655
bonds (distance) P-C4' energy: -20.927
flat angles C4'-P-C4' energy: -19.671
flat angles P-C4'-P energy: -16.412
tors. eta vs tors. theta energy: -23.336
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 229
Temperature: 0.950000
Total energy: -291.644533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.644533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.644533 (E_RNA)
where:
Base-Base interactions energy: -194.571
where: short stacking energy: -82.106
Base-Backbone interact. energy: -1.067
local terms energy: -96.007115
where:
bonds (distance) C4'-P energy: -20.468
bonds (distance) P-C4' energy: -20.672
flat angles C4'-P-C4' energy: -21.212
flat angles P-C4'-P energy: -12.131
tors. eta vs tors. theta energy: -21.524
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 229
Temperature: 1.000000
Total energy: -297.837555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.837555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.837555 (E_RNA)
where:
Base-Base interactions energy: -202.294
where: short stacking energy: -99.976
Base-Backbone interact. energy: -0.003
local terms energy: -95.540363
where:
bonds (distance) C4'-P energy: -17.353
bonds (distance) P-C4' energy: -18.061
flat angles C4'-P-C4' energy: -19.107
flat angles P-C4'-P energy: -13.756
tors. eta vs tors. theta energy: -27.264
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 229
Temperature: 1.050000
Total energy: -300.100803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.100803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.100803 (E_RNA)
where:
Base-Base interactions energy: -206.544
where: short stacking energy: -86.752
Base-Backbone interact. energy: -0.184
local terms energy: -93.372940
where:
bonds (distance) C4'-P energy: -16.914
bonds (distance) P-C4' energy: -20.760
flat angles C4'-P-C4' energy: -18.199
flat angles P-C4'-P energy: -12.982
tors. eta vs tors. theta energy: -24.518
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 229
Temperature: 1.100000
Total energy: -208.526685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.526685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.526685 (E_RNA)
where:
Base-Base interactions energy: -129.551
where: short stacking energy: -70.832
Base-Backbone interact. energy: -0.105
local terms energy: -78.871314
where:
bonds (distance) C4'-P energy: -17.520
bonds (distance) P-C4' energy: -14.786
flat angles C4'-P-C4' energy: -19.712
flat angles P-C4'-P energy: -10.366
tors. eta vs tors. theta energy: -16.486
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 229
Temperature: 1.150000
Total energy: -267.805418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.805418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.805418 (E_RNA)
where:
Base-Base interactions energy: -191.658
where: short stacking energy: -75.427
Base-Backbone interact. energy: -0.165
local terms energy: -75.982033
where:
bonds (distance) C4'-P energy: -16.391
bonds (distance) P-C4' energy: -20.521
flat angles C4'-P-C4' energy: -15.617
flat angles P-C4'-P energy: -9.977
tors. eta vs tors. theta energy: -13.476
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 229
Temperature: 1.200000
Total energy: -232.155935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.155935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.155935 (E_RNA)
where:
Base-Base interactions energy: -150.601
where: short stacking energy: -70.778
Base-Backbone interact. energy: 0.272
local terms energy: -81.827053
where:
bonds (distance) C4'-P energy: -19.293
bonds (distance) P-C4' energy: -16.986
flat angles C4'-P-C4' energy: -14.544
flat angles P-C4'-P energy: -13.482
tors. eta vs tors. theta energy: -17.522
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 229
Temperature: 1.250000
Total energy: -225.503340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.503340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.503340 (E_RNA)
where:
Base-Base interactions energy: -149.394
where: short stacking energy: -75.409
Base-Backbone interact. energy: -0.216
local terms energy: -75.893611
where:
bonds (distance) C4'-P energy: -11.928
bonds (distance) P-C4' energy: -17.745
flat angles C4'-P-C4' energy: -17.195
flat angles P-C4'-P energy: -9.405
tors. eta vs tors. theta energy: -19.620
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 229
Temperature: 1.300000
Total energy: -178.164977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.164977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.164977 (E_RNA)
where:
Base-Base interactions energy: -106.852
where: short stacking energy: -52.861
Base-Backbone interact. energy: -0.311
local terms energy: -71.002057
where:
bonds (distance) C4'-P energy: -22.870
bonds (distance) P-C4' energy: -18.449
flat angles C4'-P-C4' energy: -15.675
flat angles P-C4'-P energy: -8.266
tors. eta vs tors. theta energy: -5.742
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 229
Temperature: 1.350000
Total energy: -107.077169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.077169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.077169 (E_RNA)
where:
Base-Base interactions energy: -37.350
where: short stacking energy: -25.161
Base-Backbone interact. energy: -0.078
local terms energy: -69.649078
where:
bonds (distance) C4'-P energy: -20.200
bonds (distance) P-C4' energy: -20.973
flat angles C4'-P-C4' energy: -13.430
flat angles P-C4'-P energy: -13.286
tors. eta vs tors. theta energy: -1.760
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 230
Temperature: 0.900000
Total energy: -349.590184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.590184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.590184 (E_RNA)
where:
Base-Base interactions energy: -251.740
where: short stacking energy: -100.078
Base-Backbone interact. energy: 0.315
local terms energy: -98.165131
where:
bonds (distance) C4'-P energy: -13.936
bonds (distance) P-C4' energy: -21.860
flat angles C4'-P-C4' energy: -22.086
flat angles P-C4'-P energy: -16.435
tors. eta vs tors. theta energy: -23.848
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 230
Temperature: 0.950000
Total energy: -294.741461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.741461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.741461 (E_RNA)
where:
Base-Base interactions energy: -201.707
where: short stacking energy: -93.862
Base-Backbone interact. energy: -0.157
local terms energy: -92.877523
where:
bonds (distance) C4'-P energy: -16.289
bonds (distance) P-C4' energy: -21.423
flat angles C4'-P-C4' energy: -19.351
flat angles P-C4'-P energy: -14.017
tors. eta vs tors. theta energy: -21.798
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 230
Temperature: 1.000000
Total energy: -305.941098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.941098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.941098 (E_RNA)
where:
Base-Base interactions energy: -216.905
where: short stacking energy: -86.001
Base-Backbone interact. energy: -0.751
local terms energy: -88.284867
where:
bonds (distance) C4'-P energy: -16.601
bonds (distance) P-C4' energy: -22.564
flat angles C4'-P-C4' energy: -20.143
flat angles P-C4'-P energy: -9.867
tors. eta vs tors. theta energy: -19.109
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 230
Temperature: 1.050000
Total energy: -276.293373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.293373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.293373 (E_RNA)
where:
Base-Base interactions energy: -193.400
where: short stacking energy: -89.975
Base-Backbone interact. energy: -0.647
local terms energy: -82.246368
where:
bonds (distance) C4'-P energy: -14.360
bonds (distance) P-C4' energy: -16.080
flat angles C4'-P-C4' energy: -17.194
flat angles P-C4'-P energy: -11.653
tors. eta vs tors. theta energy: -22.959
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 230
Temperature: 1.100000
Total energy: -252.489632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.489632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.489632 (E_RNA)
where:
Base-Base interactions energy: -168.426
where: short stacking energy: -74.151
Base-Backbone interact. energy: -0.272
local terms energy: -83.791112
where:
bonds (distance) C4'-P energy: -17.786
bonds (distance) P-C4' energy: -19.224
flat angles C4'-P-C4' energy: -16.641
flat angles P-C4'-P energy: -11.580
tors. eta vs tors. theta energy: -18.561
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 230
Temperature: 1.150000
Total energy: -202.843468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.843468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.843468 (E_RNA)
where:
Base-Base interactions energy: -127.177
where: short stacking energy: -76.004
Base-Backbone interact. energy: -0.028
local terms energy: -75.638272
where:
bonds (distance) C4'-P energy: -12.910
bonds (distance) P-C4' energy: -16.007
flat angles C4'-P-C4' energy: -17.048
flat angles P-C4'-P energy: -12.434
tors. eta vs tors. theta energy: -17.239
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 230
Temperature: 1.200000
Total energy: -245.592940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.592940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.592940 (E_RNA)
where:
Base-Base interactions energy: -162.401
where: short stacking energy: -69.254
Base-Backbone interact. energy: -0.542
local terms energy: -82.650677
where:
bonds (distance) C4'-P energy: -16.305
bonds (distance) P-C4' energy: -21.960
flat angles C4'-P-C4' energy: -21.820
flat angles P-C4'-P energy: -11.964
tors. eta vs tors. theta energy: -10.602
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 230
Temperature: 1.250000
Total energy: -224.468709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.468709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.468709 (E_RNA)
where:
Base-Base interactions energy: -142.781
where: short stacking energy: -77.121
Base-Backbone interact. energy: -0.133
local terms energy: -81.555398
where:
bonds (distance) C4'-P energy: -17.438
bonds (distance) P-C4' energy: -17.996
flat angles C4'-P-C4' energy: -17.722
flat angles P-C4'-P energy: -9.574
tors. eta vs tors. theta energy: -18.824
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 230
Temperature: 1.300000
Total energy: -201.949884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.949884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.949884 (E_RNA)
where:
Base-Base interactions energy: -119.273
where: short stacking energy: -70.817
Base-Backbone interact. energy: -0.200
local terms energy: -82.477151
where:
bonds (distance) C4'-P energy: -17.629
bonds (distance) P-C4' energy: -19.513
flat angles C4'-P-C4' energy: -15.650
flat angles P-C4'-P energy: -12.605
tors. eta vs tors. theta energy: -17.079
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 230
Temperature: 1.350000
Total energy: -96.693376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.693376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.693376 (E_RNA)
where:
Base-Base interactions energy: -40.844
where: short stacking energy: -27.351
Base-Backbone interact. energy: -0.237
local terms energy: -55.612400
where:
bonds (distance) C4'-P energy: -13.952
bonds (distance) P-C4' energy: -18.699
flat angles C4'-P-C4' energy: -14.429
flat angles P-C4'-P energy: -11.548
tors. eta vs tors. theta energy: 3.016
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 231
Temperature: 0.900000
Total energy: -343.597038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.597038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.597038 (E_RNA)
where:
Base-Base interactions energy: -248.271
where: short stacking energy: -99.790
Base-Backbone interact. energy: -0.570
local terms energy: -94.756154
where:
bonds (distance) C4'-P energy: -20.846
bonds (distance) P-C4' energy: -18.765
flat angles C4'-P-C4' energy: -19.686
flat angles P-C4'-P energy: -13.552
tors. eta vs tors. theta energy: -21.907
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 231
Temperature: 0.950000
Total energy: -305.327306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.327306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.327306 (E_RNA)
where:
Base-Base interactions energy: -213.460
where: short stacking energy: -97.218
Base-Backbone interact. energy: -0.403
local terms energy: -91.464575
where:
bonds (distance) C4'-P energy: -15.888
bonds (distance) P-C4' energy: -16.462
flat angles C4'-P-C4' energy: -21.597
flat angles P-C4'-P energy: -16.647
tors. eta vs tors. theta energy: -20.872
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 231
Temperature: 1.000000
Total energy: -292.407885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.407885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.407885 (E_RNA)
where:
Base-Base interactions energy: -191.889
where: short stacking energy: -85.384
Base-Backbone interact. energy: -0.232
local terms energy: -100.286454
where:
bonds (distance) C4'-P energy: -16.085
bonds (distance) P-C4' energy: -20.746
flat angles C4'-P-C4' energy: -21.744
flat angles P-C4'-P energy: -14.928
tors. eta vs tors. theta energy: -26.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 231
Temperature: 1.050000
Total energy: -252.143436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.143436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.143436 (E_RNA)
where:
Base-Base interactions energy: -166.347
where: short stacking energy: -64.202
Base-Backbone interact. energy: -1.013
local terms energy: -84.783521
where:
bonds (distance) C4'-P energy: -15.672
bonds (distance) P-C4' energy: -19.179
flat angles C4'-P-C4' energy: -19.704
flat angles P-C4'-P energy: -14.876
tors. eta vs tors. theta energy: -15.352
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 231
Temperature: 1.100000
Total energy: -243.754225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.754225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.754225 (E_RNA)
where:
Base-Base interactions energy: -159.665
where: short stacking energy: -67.602
Base-Backbone interact. energy: -0.854
local terms energy: -83.235596
where:
bonds (distance) C4'-P energy: -14.232
bonds (distance) P-C4' energy: -21.465
flat angles C4'-P-C4' energy: -17.492
flat angles P-C4'-P energy: -15.669
tors. eta vs tors. theta energy: -14.377
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 231
Temperature: 1.150000
Total energy: -259.213913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.213913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.213913 (E_RNA)
where:
Base-Base interactions energy: -171.577
where: short stacking energy: -75.417
Base-Backbone interact. energy: -0.443
local terms energy: -87.194642
where:
bonds (distance) C4'-P energy: -18.063
bonds (distance) P-C4' energy: -20.928
flat angles C4'-P-C4' energy: -19.247
flat angles P-C4'-P energy: -8.766
tors. eta vs tors. theta energy: -20.191
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 231
Temperature: 1.200000
Total energy: -207.157152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.157152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.157152 (E_RNA)
where:
Base-Base interactions energy: -134.581
where: short stacking energy: -77.225
Base-Backbone interact. energy: -0.426
local terms energy: -72.150211
where:
bonds (distance) C4'-P energy: -19.139
bonds (distance) P-C4' energy: -14.906
flat angles C4'-P-C4' energy: -16.555
flat angles P-C4'-P energy: -7.947
tors. eta vs tors. theta energy: -13.602
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 231
Temperature: 1.250000
Total energy: -209.553623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.553623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.553623 (E_RNA)
where:
Base-Base interactions energy: -124.817
where: short stacking energy: -68.998
Base-Backbone interact. energy: -0.076
local terms energy: -84.659875
where:
bonds (distance) C4'-P energy: -16.673
bonds (distance) P-C4' energy: -18.265
flat angles C4'-P-C4' energy: -17.975
flat angles P-C4'-P energy: -11.523
tors. eta vs tors. theta energy: -20.224
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 231
Temperature: 1.300000
Total energy: -182.699818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.699818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.699818 (E_RNA)
where:
Base-Base interactions energy: -113.521
where: short stacking energy: -56.135
Base-Backbone interact. energy: -0.454
local terms energy: -68.724150
where:
bonds (distance) C4'-P energy: -12.417
bonds (distance) P-C4' energy: -19.848
flat angles C4'-P-C4' energy: -15.925
flat angles P-C4'-P energy: -5.362
tors. eta vs tors. theta energy: -15.172
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 231
Temperature: 1.350000
Total energy: -109.216612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.216612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.216612 (E_RNA)
where:
Base-Base interactions energy: -38.051
where: short stacking energy: -35.142
Base-Backbone interact. energy: 1.289
local terms energy: -72.454498
where:
bonds (distance) C4'-P energy: -14.014
bonds (distance) P-C4' energy: -21.571
flat angles C4'-P-C4' energy: -15.431
flat angles P-C4'-P energy: -12.327
tors. eta vs tors. theta energy: -9.111
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 232
Temperature: 0.900000
Total energy: -345.464153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.464153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.464153 (E_RNA)
where:
Base-Base interactions energy: -250.877
where: short stacking energy: -97.583
Base-Backbone interact. energy: -0.397
local terms energy: -94.190190
where:
bonds (distance) C4'-P energy: -20.709
bonds (distance) P-C4' energy: -18.228
flat angles C4'-P-C4' energy: -20.481
flat angles P-C4'-P energy: -10.449
tors. eta vs tors. theta energy: -24.324
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 232
Temperature: 0.950000
Total energy: -310.386457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.386457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.386457 (E_RNA)
where:
Base-Base interactions energy: -207.471
where: short stacking energy: -90.959
Base-Backbone interact. energy: -0.102
local terms energy: -102.813626
where:
bonds (distance) C4'-P energy: -20.945
bonds (distance) P-C4' energy: -21.267
flat angles C4'-P-C4' energy: -22.504
flat angles P-C4'-P energy: -12.866
tors. eta vs tors. theta energy: -25.231
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 232
Temperature: 1.000000
Total energy: -273.876540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.876540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.876540 (E_RNA)
where:
Base-Base interactions energy: -179.091
where: short stacking energy: -83.492
Base-Backbone interact. energy: -0.274
local terms energy: -94.512068
where:
bonds (distance) C4'-P energy: -19.346
bonds (distance) P-C4' energy: -17.737
flat angles C4'-P-C4' energy: -21.507
flat angles P-C4'-P energy: -14.718
tors. eta vs tors. theta energy: -21.204
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 232
Temperature: 1.050000
Total energy: -285.154674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.154674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.154674 (E_RNA)
where:
Base-Base interactions energy: -195.957
where: short stacking energy: -93.989
Base-Backbone interact. energy: 1.182
local terms energy: -90.380464
where:
bonds (distance) C4'-P energy: -15.067
bonds (distance) P-C4' energy: -20.340
flat angles C4'-P-C4' energy: -20.336
flat angles P-C4'-P energy: -12.395
tors. eta vs tors. theta energy: -22.243
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 232
Temperature: 1.100000
Total energy: -240.393256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.393256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.393256 (E_RNA)
where:
Base-Base interactions energy: -153.925
where: short stacking energy: -76.430
Base-Backbone interact. energy: -0.208
local terms energy: -86.260511
where:
bonds (distance) C4'-P energy: -17.365
bonds (distance) P-C4' energy: -18.042
flat angles C4'-P-C4' energy: -22.730
flat angles P-C4'-P energy: -12.514
tors. eta vs tors. theta energy: -15.609
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 232
Temperature: 1.150000
Total energy: -242.220411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.220411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.220411 (E_RNA)
where:
Base-Base interactions energy: -151.964
where: short stacking energy: -80.586
Base-Backbone interact. energy: -0.069
local terms energy: -90.187992
where:
bonds (distance) C4'-P energy: -19.315
bonds (distance) P-C4' energy: -17.581
flat angles C4'-P-C4' energy: -18.747
flat angles P-C4'-P energy: -14.462
tors. eta vs tors. theta energy: -20.083
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 232
Temperature: 1.200000
Total energy: -208.314806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.314806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.314806 (E_RNA)
where:
Base-Base interactions energy: -119.655
where: short stacking energy: -64.246
Base-Backbone interact. energy: -0.700
local terms energy: -87.959979
where:
bonds (distance) C4'-P energy: -15.266
bonds (distance) P-C4' energy: -23.956
flat angles C4'-P-C4' energy: -22.813
flat angles P-C4'-P energy: -8.411
tors. eta vs tors. theta energy: -17.514
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 232
Temperature: 1.250000
Total energy: -191.961973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.961973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.961973 (E_RNA)
where:
Base-Base interactions energy: -120.483
where: short stacking energy: -68.143
Base-Backbone interact. energy: -0.016
local terms energy: -71.462782
where:
bonds (distance) C4'-P energy: -13.888
bonds (distance) P-C4' energy: -19.520
flat angles C4'-P-C4' energy: -16.265
flat angles P-C4'-P energy: -10.183
tors. eta vs tors. theta energy: -11.606
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 232
Temperature: 1.300000
Total energy: -177.746121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.746121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.746121 (E_RNA)
where:
Base-Base interactions energy: -107.978
where: short stacking energy: -56.198
Base-Backbone interact. energy: -0.252
local terms energy: -69.515944
where:
bonds (distance) C4'-P energy: -14.527
bonds (distance) P-C4' energy: -17.743
flat angles C4'-P-C4' energy: -15.119
flat angles P-C4'-P energy: -14.085
tors. eta vs tors. theta energy: -8.043
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 232
Temperature: 1.350000
Total energy: -94.036482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.036482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.036482 (E_RNA)
where:
Base-Base interactions energy: -29.507
where: short stacking energy: -25.618
Base-Backbone interact. energy: -0.747
local terms energy: -63.782227
where:
bonds (distance) C4'-P energy: -21.251
bonds (distance) P-C4' energy: -15.644
flat angles C4'-P-C4' energy: -17.009
flat angles P-C4'-P energy: -10.197
tors. eta vs tors. theta energy: 0.320
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 233
Temperature: 0.900000
Total energy: -352.058080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.058080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.058080 (E_RNA)
where:
Base-Base interactions energy: -253.825
where: short stacking energy: -109.030
Base-Backbone interact. energy: -0.388
local terms energy: -97.845508
where:
bonds (distance) C4'-P energy: -18.847
bonds (distance) P-C4' energy: -17.827
flat angles C4'-P-C4' energy: -18.479
flat angles P-C4'-P energy: -16.749
tors. eta vs tors. theta energy: -25.944
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 233
Temperature: 0.950000
Total energy: -289.588685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.588685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.588685 (E_RNA)
where:
Base-Base interactions energy: -193.565
where: short stacking energy: -87.599
Base-Backbone interact. energy: -0.687
local terms energy: -95.336329
where:
bonds (distance) C4'-P energy: -20.585
bonds (distance) P-C4' energy: -17.441
flat angles C4'-P-C4' energy: -19.512
flat angles P-C4'-P energy: -18.363
tors. eta vs tors. theta energy: -19.435
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 233
Temperature: 1.000000
Total energy: -265.935270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.935270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.935270 (E_RNA)
where:
Base-Base interactions energy: -178.331
where: short stacking energy: -88.642
Base-Backbone interact. energy: -0.535
local terms energy: -87.069472
where:
bonds (distance) C4'-P energy: -19.960
bonds (distance) P-C4' energy: -20.686
flat angles C4'-P-C4' energy: -18.390
flat angles P-C4'-P energy: -10.008
tors. eta vs tors. theta energy: -18.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 233
Temperature: 1.050000
Total energy: -283.172756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.172756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.172756 (E_RNA)
where:
Base-Base interactions energy: -191.741
where: short stacking energy: -80.696
Base-Backbone interact. energy: 0.651
local terms energy: -92.082351
where:
bonds (distance) C4'-P energy: -15.319
bonds (distance) P-C4' energy: -18.163
flat angles C4'-P-C4' energy: -21.615
flat angles P-C4'-P energy: -15.121
tors. eta vs tors. theta energy: -21.865
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 233
Temperature: 1.100000
Total energy: -254.724511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.724511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.724511 (E_RNA)
where:
Base-Base interactions energy: -164.673
where: short stacking energy: -79.913
Base-Backbone interact. energy: 0.219
local terms energy: -90.270873
where:
bonds (distance) C4'-P energy: -14.769
bonds (distance) P-C4' energy: -23.325
flat angles C4'-P-C4' energy: -18.667
flat angles P-C4'-P energy: -7.102
tors. eta vs tors. theta energy: -26.408
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 233
Temperature: 1.150000
Total energy: -265.557250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.557250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.557250 (E_RNA)
where:
Base-Base interactions energy: -170.109
where: short stacking energy: -75.615
Base-Backbone interact. energy: -0.037
local terms energy: -95.410473
where:
bonds (distance) C4'-P energy: -20.245
bonds (distance) P-C4' energy: -19.685
flat angles C4'-P-C4' energy: -20.984
flat angles P-C4'-P energy: -12.940
tors. eta vs tors. theta energy: -21.556
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 233
Temperature: 1.200000
Total energy: -249.602216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.602216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.602216 (E_RNA)
where:
Base-Base interactions energy: -163.554
where: short stacking energy: -85.988
Base-Backbone interact. energy: -0.146
local terms energy: -85.901961
where:
bonds (distance) C4'-P energy: -17.319
bonds (distance) P-C4' energy: -14.735
flat angles C4'-P-C4' energy: -20.758
flat angles P-C4'-P energy: -13.184
tors. eta vs tors. theta energy: -19.908
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 233
Temperature: 1.250000
Total energy: -189.944014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.944014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.944014 (E_RNA)
where:
Base-Base interactions energy: -119.764
where: short stacking energy: -51.823
Base-Backbone interact. energy: 0.048
local terms energy: -70.227785
where:
bonds (distance) C4'-P energy: -12.199
bonds (distance) P-C4' energy: -20.343
flat angles C4'-P-C4' energy: -17.561
flat angles P-C4'-P energy: -10.321
tors. eta vs tors. theta energy: -9.804
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 233
Temperature: 1.300000
Total energy: -190.679196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.679196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.679196 (E_RNA)
where:
Base-Base interactions energy: -115.904
where: short stacking energy: -56.118
Base-Backbone interact. energy: -0.896
local terms energy: -73.879506
where:
bonds (distance) C4'-P energy: -14.938
bonds (distance) P-C4' energy: -19.939
flat angles C4'-P-C4' energy: -17.360
flat angles P-C4'-P energy: -12.405
tors. eta vs tors. theta energy: -9.238
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 233
Temperature: 1.350000
Total energy: -105.197408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.197408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.197408 (E_RNA)
where:
Base-Base interactions energy: -34.332
where: short stacking energy: -34.234
Base-Backbone interact. energy: -0.132
local terms energy: -70.733359
where:
bonds (distance) C4'-P energy: -16.806
bonds (distance) P-C4' energy: -14.934
flat angles C4'-P-C4' energy: -22.168
flat angles P-C4'-P energy: -7.248
tors. eta vs tors. theta energy: -9.578
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 234
Temperature: 0.900000
Total energy: -338.598079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.598079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.598079 (E_RNA)
where:
Base-Base interactions energy: -238.260
where: short stacking energy: -96.500
Base-Backbone interact. energy: -1.058
local terms energy: -99.279764
where:
bonds (distance) C4'-P energy: -16.410
bonds (distance) P-C4' energy: -21.675
flat angles C4'-P-C4' energy: -22.390
flat angles P-C4'-P energy: -15.327
tors. eta vs tors. theta energy: -23.478
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 234
Temperature: 0.950000
Total energy: -303.674263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.674263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.674263 (E_RNA)
where:
Base-Base interactions energy: -197.061
where: short stacking energy: -97.223
Base-Backbone interact. energy: -1.183
local terms energy: -105.429886
where:
bonds (distance) C4'-P energy: -20.268
bonds (distance) P-C4' energy: -21.538
flat angles C4'-P-C4' energy: -20.831
flat angles P-C4'-P energy: -14.918
tors. eta vs tors. theta energy: -27.876
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 234
Temperature: 1.000000
Total energy: -281.195682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.195682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.195682 (E_RNA)
where:
Base-Base interactions energy: -195.456
where: short stacking energy: -88.171
Base-Backbone interact. energy: 0.402
local terms energy: -86.141459
where:
bonds (distance) C4'-P energy: -19.765
bonds (distance) P-C4' energy: -20.209
flat angles C4'-P-C4' energy: -15.749
flat angles P-C4'-P energy: -8.326
tors. eta vs tors. theta energy: -22.092
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 234
Temperature: 1.050000
Total energy: -245.096592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.096592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.096592 (E_RNA)
where:
Base-Base interactions energy: -157.778
where: short stacking energy: -71.193
Base-Backbone interact. energy: -0.384
local terms energy: -86.934607
where:
bonds (distance) C4'-P energy: -19.392
bonds (distance) P-C4' energy: -17.089
flat angles C4'-P-C4' energy: -23.236
flat angles P-C4'-P energy: -15.271
tors. eta vs tors. theta energy: -11.946
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 234
Temperature: 1.100000
Total energy: -244.966489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.966489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.966489 (E_RNA)
where:
Base-Base interactions energy: -168.208
where: short stacking energy: -61.005
Base-Backbone interact. energy: -0.889
local terms energy: -75.868825
where:
bonds (distance) C4'-P energy: -21.843
bonds (distance) P-C4' energy: -18.068
flat angles C4'-P-C4' energy: -13.056
flat angles P-C4'-P energy: -12.487
tors. eta vs tors. theta energy: -10.415
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 234
Temperature: 1.150000
Total energy: -254.823543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.823543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.823543 (E_RNA)
where:
Base-Base interactions energy: -169.735
where: short stacking energy: -78.559
Base-Backbone interact. energy: -0.269
local terms energy: -84.820016
where:
bonds (distance) C4'-P energy: -17.712
bonds (distance) P-C4' energy: -23.268
flat angles C4'-P-C4' energy: -18.732
flat angles P-C4'-P energy: -8.281
tors. eta vs tors. theta energy: -16.826
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 234
Temperature: 1.200000
Total energy: -220.630501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.630501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.630501 (E_RNA)
where:
Base-Base interactions energy: -143.665
where: short stacking energy: -81.591
Base-Backbone interact. energy: -0.149
local terms energy: -76.816671
where:
bonds (distance) C4'-P energy: -16.561
bonds (distance) P-C4' energy: -20.795
flat angles C4'-P-C4' energy: -14.573
flat angles P-C4'-P energy: -12.388
tors. eta vs tors. theta energy: -12.500
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 234
Temperature: 1.250000
Total energy: -232.970325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.970325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.970325 (E_RNA)
where:
Base-Base interactions energy: -146.503
where: short stacking energy: -70.363
Base-Backbone interact. energy: -0.169
local terms energy: -86.298091
where:
bonds (distance) C4'-P energy: -19.500
bonds (distance) P-C4' energy: -13.981
flat angles C4'-P-C4' energy: -20.075
flat angles P-C4'-P energy: -14.408
tors. eta vs tors. theta energy: -18.334
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 234
Temperature: 1.300000
Total energy: -175.110523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.110523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.110523 (E_RNA)
where:
Base-Base interactions energy: -103.389
where: short stacking energy: -47.087
Base-Backbone interact. energy: -0.001
local terms energy: -71.720658
where:
bonds (distance) C4'-P energy: -13.564
bonds (distance) P-C4' energy: -19.558
flat angles C4'-P-C4' energy: -19.819
flat angles P-C4'-P energy: -9.209
tors. eta vs tors. theta energy: -9.570
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 234
Temperature: 1.350000
Total energy: -119.605735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.605735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.605735 (E_RNA)
where:
Base-Base interactions energy: -57.246
where: short stacking energy: -32.479
Base-Backbone interact. energy: -0.241
local terms energy: -62.118821
where:
bonds (distance) C4'-P energy: -11.238
bonds (distance) P-C4' energy: -18.582
flat angles C4'-P-C4' energy: -19.392
flat angles P-C4'-P energy: -8.806
tors. eta vs tors. theta energy: -4.101
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 235
Temperature: 0.900000
Total energy: -339.422824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.422824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.422824 (E_RNA)
where:
Base-Base interactions energy: -244.927
where: short stacking energy: -93.301
Base-Backbone interact. energy: -0.199
local terms energy: -94.296864
where:
bonds (distance) C4'-P energy: -19.725
bonds (distance) P-C4' energy: -17.741
flat angles C4'-P-C4' energy: -18.804
flat angles P-C4'-P energy: -15.003
tors. eta vs tors. theta energy: -23.023
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 235
Temperature: 0.950000
Total energy: -293.685006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.685006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.685006 (E_RNA)
where:
Base-Base interactions energy: -199.154
where: short stacking energy: -81.997
Base-Backbone interact. energy: -1.046
local terms energy: -93.485007
where:
bonds (distance) C4'-P energy: -20.924
bonds (distance) P-C4' energy: -18.396
flat angles C4'-P-C4' energy: -21.234
flat angles P-C4'-P energy: -12.261
tors. eta vs tors. theta energy: -20.671
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 235
Temperature: 1.000000
Total energy: -271.840941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.840941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.840941 (E_RNA)
where:
Base-Base interactions energy: -187.497
where: short stacking energy: -67.871
Base-Backbone interact. energy: -0.033
local terms energy: -84.310514
where:
bonds (distance) C4'-P energy: -20.298
bonds (distance) P-C4' energy: -19.245
flat angles C4'-P-C4' energy: -18.221
flat angles P-C4'-P energy: -10.352
tors. eta vs tors. theta energy: -16.195
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 235
Temperature: 1.050000
Total energy: -275.823749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.823749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.823749 (E_RNA)
where:
Base-Base interactions energy: -186.946
where: short stacking energy: -75.747
Base-Backbone interact. energy: -0.181
local terms energy: -88.696719
where:
bonds (distance) C4'-P energy: -18.789
bonds (distance) P-C4' energy: -21.469
flat angles C4'-P-C4' energy: -16.101
flat angles P-C4'-P energy: -11.899
tors. eta vs tors. theta energy: -20.440
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 235
Temperature: 1.100000
Total energy: -242.354505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.354505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.354505 (E_RNA)
where:
Base-Base interactions energy: -161.980
where: short stacking energy: -69.109
Base-Backbone interact. energy: -1.510
local terms energy: -78.864864
where:
bonds (distance) C4'-P energy: -17.561
bonds (distance) P-C4' energy: -19.180
flat angles C4'-P-C4' energy: -18.293
flat angles P-C4'-P energy: -13.060
tors. eta vs tors. theta energy: -10.771
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 235
Temperature: 1.150000
Total energy: -248.720310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.720310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.720310 (E_RNA)
where:
Base-Base interactions energy: -165.031
where: short stacking energy: -75.092
Base-Backbone interact. energy: 1.104
local terms energy: -84.792974
where:
bonds (distance) C4'-P energy: -13.560
bonds (distance) P-C4' energy: -18.150
flat angles C4'-P-C4' energy: -20.652
flat angles P-C4'-P energy: -13.659
tors. eta vs tors. theta energy: -18.771
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 235
Temperature: 1.200000
Total energy: -241.082595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.082595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.082595 (E_RNA)
where:
Base-Base interactions energy: -156.784
where: short stacking energy: -64.196
Base-Backbone interact. energy: -0.382
local terms energy: -83.916228
where:
bonds (distance) C4'-P energy: -21.073
bonds (distance) P-C4' energy: -17.635
flat angles C4'-P-C4' energy: -18.999
flat angles P-C4'-P energy: -14.484
tors. eta vs tors. theta energy: -11.725
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 235
Temperature: 1.250000
Total energy: -196.674471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.674471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.674471 (E_RNA)
where:
Base-Base interactions energy: -123.813
where: short stacking energy: -58.112
Base-Backbone interact. energy: 2.136
local terms energy: -74.997168
where:
bonds (distance) C4'-P energy: -17.865
bonds (distance) P-C4' energy: -15.866
flat angles C4'-P-C4' energy: -13.118
flat angles P-C4'-P energy: -12.069
tors. eta vs tors. theta energy: -16.078
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 235
Temperature: 1.300000
Total energy: -180.686776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.686776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.686776 (E_RNA)
where:
Base-Base interactions energy: -111.135
where: short stacking energy: -57.203
Base-Backbone interact. energy: -0.399
local terms energy: -69.152803
where:
bonds (distance) C4'-P energy: -13.752
bonds (distance) P-C4' energy: -18.321
flat angles C4'-P-C4' energy: -18.000
flat angles P-C4'-P energy: -6.719
tors. eta vs tors. theta energy: -12.361
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 235
Temperature: 1.350000
Total energy: -105.643495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.643495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.643495 (E_RNA)
where:
Base-Base interactions energy: -45.912
where: short stacking energy: -43.437
Base-Backbone interact. energy: -0.178
local terms energy: -59.553614
where:
bonds (distance) C4'-P energy: -13.157
bonds (distance) P-C4' energy: -16.467
flat angles C4'-P-C4' energy: -19.085
flat angles P-C4'-P energy: -4.666
tors. eta vs tors. theta energy: -6.179
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 236
Temperature: 0.900000
Total energy: -341.436683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.436683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.436683 (E_RNA)
where:
Base-Base interactions energy: -239.907
where: short stacking energy: -96.780
Base-Backbone interact. energy: -0.312
local terms energy: -101.217226
where:
bonds (distance) C4'-P energy: -19.654
bonds (distance) P-C4' energy: -21.485
flat angles C4'-P-C4' energy: -18.644
flat angles P-C4'-P energy: -16.504
tors. eta vs tors. theta energy: -24.931
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 236
Temperature: 0.950000
Total energy: -301.689543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.689543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.689543 (E_RNA)
where:
Base-Base interactions energy: -212.311
where: short stacking energy: -87.998
Base-Backbone interact. energy: -0.795
local terms energy: -88.583858
where:
bonds (distance) C4'-P energy: -16.512
bonds (distance) P-C4' energy: -17.325
flat angles C4'-P-C4' energy: -21.129
flat angles P-C4'-P energy: -9.848
tors. eta vs tors. theta energy: -23.770
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 236
Temperature: 1.000000
Total energy: -276.550117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.550117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.550117 (E_RNA)
where:
Base-Base interactions energy: -191.515
where: short stacking energy: -82.448
Base-Backbone interact. energy: -0.921
local terms energy: -84.114959
where:
bonds (distance) C4'-P energy: -17.073
bonds (distance) P-C4' energy: -20.261
flat angles C4'-P-C4' energy: -14.623
flat angles P-C4'-P energy: -12.202
tors. eta vs tors. theta energy: -19.957
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 236
Temperature: 1.050000
Total energy: -280.682218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.682218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.682218 (E_RNA)
where:
Base-Base interactions energy: -190.070
where: short stacking energy: -78.820
Base-Backbone interact. energy: -1.463
local terms energy: -89.149592
where:
bonds (distance) C4'-P energy: -16.735
bonds (distance) P-C4' energy: -20.097
flat angles C4'-P-C4' energy: -19.979
flat angles P-C4'-P energy: -12.320
tors. eta vs tors. theta energy: -20.018
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 236
Temperature: 1.100000
Total energy: -278.296343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.296343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.296343 (E_RNA)
where:
Base-Base interactions energy: -185.668
where: short stacking energy: -84.095
Base-Backbone interact. energy: 0.465
local terms energy: -93.093573
where:
bonds (distance) C4'-P energy: -14.860
bonds (distance) P-C4' energy: -20.986
flat angles C4'-P-C4' energy: -18.597
flat angles P-C4'-P energy: -14.826
tors. eta vs tors. theta energy: -23.825
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 236
Temperature: 1.150000
Total energy: -230.635094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.635094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.635094 (E_RNA)
where:
Base-Base interactions energy: -149.273
where: short stacking energy: -72.548
Base-Backbone interact. energy: -0.022
local terms energy: -81.339520
where:
bonds (distance) C4'-P energy: -14.959
bonds (distance) P-C4' energy: -19.114
flat angles C4'-P-C4' energy: -18.670
flat angles P-C4'-P energy: -14.080
tors. eta vs tors. theta energy: -14.517
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 236
Temperature: 1.200000
Total energy: -243.976765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.976765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.976765 (E_RNA)
where:
Base-Base interactions energy: -155.859
where: short stacking energy: -74.976
Base-Backbone interact. energy: 3.400
local terms energy: -91.518572
where:
bonds (distance) C4'-P energy: -22.457
bonds (distance) P-C4' energy: -19.713
flat angles C4'-P-C4' energy: -20.031
flat angles P-C4'-P energy: -11.828
tors. eta vs tors. theta energy: -17.491
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 236
Temperature: 1.250000
Total energy: -199.453669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.453669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.453669 (E_RNA)
where:
Base-Base interactions energy: -135.247
where: short stacking energy: -59.715
Base-Backbone interact. energy: -0.302
local terms energy: -63.904578
where:
bonds (distance) C4'-P energy: -14.678
bonds (distance) P-C4' energy: -15.389
flat angles C4'-P-C4' energy: -14.102
flat angles P-C4'-P energy: -9.519
tors. eta vs tors. theta energy: -10.217
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 236
Temperature: 1.300000
Total energy: -177.794724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.794724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.794724 (E_RNA)
where:
Base-Base interactions energy: -111.248
where: short stacking energy: -48.292
Base-Backbone interact. energy: 0.304
local terms energy: -66.850313
where:
bonds (distance) C4'-P energy: -20.846
bonds (distance) P-C4' energy: -20.070
flat angles C4'-P-C4' energy: -11.541
flat angles P-C4'-P energy: -9.225
tors. eta vs tors. theta energy: -5.167
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 236
Temperature: 1.350000
Total energy: -98.783487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.783487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.783487 (E_RNA)
where:
Base-Base interactions energy: -30.933
where: short stacking energy: -26.140
Base-Backbone interact. energy: -0.498
local terms energy: -67.352282
where:
bonds (distance) C4'-P energy: -14.092
bonds (distance) P-C4' energy: -18.563
flat angles C4'-P-C4' energy: -18.661
flat angles P-C4'-P energy: -11.344
tors. eta vs tors. theta energy: -4.692
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 237
Temperature: 0.900000
Total energy: -337.579823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.579823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.579823 (E_RNA)
where:
Base-Base interactions energy: -242.063
where: short stacking energy: -93.929
Base-Backbone interact. energy: -0.734
local terms energy: -94.782529
where:
bonds (distance) C4'-P energy: -16.325
bonds (distance) P-C4' energy: -19.480
flat angles C4'-P-C4' energy: -21.547
flat angles P-C4'-P energy: -15.657
tors. eta vs tors. theta energy: -21.774
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 237
Temperature: 0.950000
Total energy: -307.749513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.749513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.749513 (E_RNA)
where:
Base-Base interactions energy: -214.746
where: short stacking energy: -89.883
Base-Backbone interact. energy: 1.227
local terms energy: -94.230705
where:
bonds (distance) C4'-P energy: -14.813
bonds (distance) P-C4' energy: -18.304
flat angles C4'-P-C4' energy: -22.194
flat angles P-C4'-P energy: -15.496
tors. eta vs tors. theta energy: -23.424
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 237
Temperature: 1.000000
Total energy: -288.853516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.853516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.853516 (E_RNA)
where:
Base-Base interactions energy: -189.235
where: short stacking energy: -81.933
Base-Backbone interact. energy: -0.849
local terms energy: -98.769066
where:
bonds (distance) C4'-P energy: -19.799
bonds (distance) P-C4' energy: -19.706
flat angles C4'-P-C4' energy: -19.816
flat angles P-C4'-P energy: -15.790
tors. eta vs tors. theta energy: -23.659
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 237
Temperature: 1.050000
Total energy: -288.150011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.150011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.150011 (E_RNA)
where:
Base-Base interactions energy: -189.275
where: short stacking energy: -87.558
Base-Backbone interact. energy: -0.873
local terms energy: -98.002155
where:
bonds (distance) C4'-P energy: -18.048
bonds (distance) P-C4' energy: -19.889
flat angles C4'-P-C4' energy: -20.789
flat angles P-C4'-P energy: -16.201
tors. eta vs tors. theta energy: -23.076
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 237
Temperature: 1.100000
Total energy: -274.844874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.844874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.844874 (E_RNA)
where:
Base-Base interactions energy: -187.347
where: short stacking energy: -75.346
Base-Backbone interact. energy: -0.268
local terms energy: -87.229664
where:
bonds (distance) C4'-P energy: -22.195
bonds (distance) P-C4' energy: -15.510
flat angles C4'-P-C4' energy: -18.932
flat angles P-C4'-P energy: -10.743
tors. eta vs tors. theta energy: -19.850
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 237
Temperature: 1.150000
Total energy: -238.990963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.990963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.990963 (E_RNA)
where:
Base-Base interactions energy: -166.565
where: short stacking energy: -73.239
Base-Backbone interact. energy: -0.515
local terms energy: -71.910892
where:
bonds (distance) C4'-P energy: -16.227
bonds (distance) P-C4' energy: -13.375
flat angles C4'-P-C4' energy: -12.608
flat angles P-C4'-P energy: -15.232
tors. eta vs tors. theta energy: -14.468
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 237
Temperature: 1.200000
Total energy: -252.647951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.647951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.647951 (E_RNA)
where:
Base-Base interactions energy: -162.123
where: short stacking energy: -74.960
Base-Backbone interact. energy: -0.000
local terms energy: -90.524548
where:
bonds (distance) C4'-P energy: -19.566
bonds (distance) P-C4' energy: -15.814
flat angles C4'-P-C4' energy: -20.034
flat angles P-C4'-P energy: -10.394
tors. eta vs tors. theta energy: -24.717
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 237
Temperature: 1.250000
Total energy: -201.025779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.025779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.025779 (E_RNA)
where:
Base-Base interactions energy: -125.346
where: short stacking energy: -58.394
Base-Backbone interact. energy: -0.886
local terms energy: -74.794150
where:
bonds (distance) C4'-P energy: -13.268
bonds (distance) P-C4' energy: -20.271
flat angles C4'-P-C4' energy: -16.085
flat angles P-C4'-P energy: -12.943
tors. eta vs tors. theta energy: -12.227
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 237
Temperature: 1.300000
Total energy: -181.861426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.861426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.861426 (E_RNA)
where:
Base-Base interactions energy: -109.301
where: short stacking energy: -42.957
Base-Backbone interact. energy: -0.747
local terms energy: -71.813597
where:
bonds (distance) C4'-P energy: -16.925
bonds (distance) P-C4' energy: -16.230
flat angles C4'-P-C4' energy: -18.704
flat angles P-C4'-P energy: -17.875
tors. eta vs tors. theta energy: -2.080
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 237
Temperature: 1.350000
Total energy: -99.454718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.454718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.454718 (E_RNA)
where:
Base-Base interactions energy: -40.489
where: short stacking energy: -34.616
Base-Backbone interact. energy: -0.096
local terms energy: -58.869916
where:
bonds (distance) C4'-P energy: -8.761
bonds (distance) P-C4' energy: -17.890
flat angles C4'-P-C4' energy: -18.036
flat angles P-C4'-P energy: -12.366
tors. eta vs tors. theta energy: -1.816
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 238
Temperature: 0.900000
Total energy: -337.177500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.177500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.177500 (E_RNA)
where:
Base-Base interactions energy: -240.918
where: short stacking energy: -100.629
Base-Backbone interact. energy: -0.570
local terms energy: -95.689150
where:
bonds (distance) C4'-P energy: -21.926
bonds (distance) P-C4' energy: -17.532
flat angles C4'-P-C4' energy: -20.268
flat angles P-C4'-P energy: -12.593
tors. eta vs tors. theta energy: -23.370
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 238
Temperature: 0.950000
Total energy: -294.767452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.767452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.767452 (E_RNA)
where:
Base-Base interactions energy: -201.548
where: short stacking energy: -80.049
Base-Backbone interact. energy: -0.414
local terms energy: -92.805281
where:
bonds (distance) C4'-P energy: -18.973
bonds (distance) P-C4' energy: -21.084
flat angles C4'-P-C4' energy: -19.970
flat angles P-C4'-P energy: -10.286
tors. eta vs tors. theta energy: -22.492
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 238
Temperature: 1.000000
Total energy: -279.088655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.088655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.088655 (E_RNA)
where:
Base-Base interactions energy: -185.750
where: short stacking energy: -80.928
Base-Backbone interact. energy: -0.696
local terms energy: -92.642633
where:
bonds (distance) C4'-P energy: -21.682
bonds (distance) P-C4' energy: -18.583
flat angles C4'-P-C4' energy: -19.739
flat angles P-C4'-P energy: -12.499
tors. eta vs tors. theta energy: -20.140
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 238
Temperature: 1.050000
Total energy: -284.155854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.155854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.155854 (E_RNA)
where:
Base-Base interactions energy: -186.677
where: short stacking energy: -82.294
Base-Backbone interact. energy: -0.106
local terms energy: -97.372743
where:
bonds (distance) C4'-P energy: -18.794
bonds (distance) P-C4' energy: -16.990
flat angles C4'-P-C4' energy: -22.053
flat angles P-C4'-P energy: -17.979
tors. eta vs tors. theta energy: -21.557
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 238
Temperature: 1.100000
Total energy: -266.429739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.429739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.429739 (E_RNA)
where:
Base-Base interactions energy: -183.262
where: short stacking energy: -73.810
Base-Backbone interact. energy: -0.203
local terms energy: -82.965026
where:
bonds (distance) C4'-P energy: -17.068
bonds (distance) P-C4' energy: -18.730
flat angles C4'-P-C4' energy: -19.991
flat angles P-C4'-P energy: -13.125
tors. eta vs tors. theta energy: -14.050
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 238
Temperature: 1.150000
Total energy: -247.594435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.594435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.594435 (E_RNA)
where:
Base-Base interactions energy: -157.744
where: short stacking energy: -85.793
Base-Backbone interact. energy: -0.422
local terms energy: -89.428104
where:
bonds (distance) C4'-P energy: -15.727
bonds (distance) P-C4' energy: -18.185
flat angles C4'-P-C4' energy: -21.559
flat angles P-C4'-P energy: -13.142
tors. eta vs tors. theta energy: -20.814
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 238
Temperature: 1.200000
Total energy: -232.375373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.375373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.375373 (E_RNA)
where:
Base-Base interactions energy: -153.451
where: short stacking energy: -75.546
Base-Backbone interact. energy: -0.472
local terms energy: -78.452353
where:
bonds (distance) C4'-P energy: -16.731
bonds (distance) P-C4' energy: -23.280
flat angles C4'-P-C4' energy: -20.486
flat angles P-C4'-P energy: -0.506
tors. eta vs tors. theta energy: -17.449
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 238
Temperature: 1.250000
Total energy: -184.675124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.675124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.675124 (E_RNA)
where:
Base-Base interactions energy: -105.529
where: short stacking energy: -55.915
Base-Backbone interact. energy: -0.242
local terms energy: -78.904150
where:
bonds (distance) C4'-P energy: -19.120
bonds (distance) P-C4' energy: -15.921
flat angles C4'-P-C4' energy: -20.537
flat angles P-C4'-P energy: -11.890
tors. eta vs tors. theta energy: -11.436
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 238
Temperature: 1.300000
Total energy: -203.147533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.147533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.147533 (E_RNA)
where:
Base-Base interactions energy: -129.268
where: short stacking energy: -55.524
Base-Backbone interact. energy: -0.156
local terms energy: -73.723124
where:
bonds (distance) C4'-P energy: -13.421
bonds (distance) P-C4' energy: -16.227
flat angles C4'-P-C4' energy: -16.060
flat angles P-C4'-P energy: -12.995
tors. eta vs tors. theta energy: -15.020
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 238
Temperature: 1.350000
Total energy: -99.743842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.743842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.743842 (E_RNA)
where:
Base-Base interactions energy: -43.201
where: short stacking energy: -43.201
Base-Backbone interact. energy: 2.485
local terms energy: -59.027586
where:
bonds (distance) C4'-P energy: -17.062
bonds (distance) P-C4' energy: -17.564
flat angles C4'-P-C4' energy: -15.997
flat angles P-C4'-P energy: -7.609
tors. eta vs tors. theta energy: -0.796
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 239
Temperature: 0.900000
Total energy: -340.668996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.668996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.668996 (E_RNA)
where:
Base-Base interactions energy: -239.215
where: short stacking energy: -101.769
Base-Backbone interact. energy: -0.485
local terms energy: -100.968923
where:
bonds (distance) C4'-P energy: -22.407
bonds (distance) P-C4' energy: -19.934
flat angles C4'-P-C4' energy: -19.807
flat angles P-C4'-P energy: -13.825
tors. eta vs tors. theta energy: -24.995
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 239
Temperature: 0.950000
Total energy: -294.571541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.571541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.571541 (E_RNA)
where:
Base-Base interactions energy: -201.654
where: short stacking energy: -79.806
Base-Backbone interact. energy: -0.566
local terms energy: -92.351421
where:
bonds (distance) C4'-P energy: -20.085
bonds (distance) P-C4' energy: -22.052
flat angles C4'-P-C4' energy: -18.666
flat angles P-C4'-P energy: -11.302
tors. eta vs tors. theta energy: -20.246
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 239
Temperature: 1.000000
Total energy: -290.491153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.491153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.491153 (E_RNA)
where:
Base-Base interactions energy: -189.645
where: short stacking energy: -91.226
Base-Backbone interact. energy: -0.126
local terms energy: -100.719931
where:
bonds (distance) C4'-P energy: -18.849
bonds (distance) P-C4' energy: -22.312
flat angles C4'-P-C4' energy: -22.828
flat angles P-C4'-P energy: -14.984
tors. eta vs tors. theta energy: -21.747
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 239
Temperature: 1.050000
Total energy: -267.498250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.498250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.498250 (E_RNA)
where:
Base-Base interactions energy: -182.045
where: short stacking energy: -70.260
Base-Backbone interact. energy: 0.604
local terms energy: -86.057379
where:
bonds (distance) C4'-P energy: -16.954
bonds (distance) P-C4' energy: -18.800
flat angles C4'-P-C4' energy: -22.190
flat angles P-C4'-P energy: -11.547
tors. eta vs tors. theta energy: -16.566
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 239
Temperature: 1.100000
Total energy: -278.391871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.391871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.391871 (E_RNA)
where:
Base-Base interactions energy: -191.909
where: short stacking energy: -87.585
Base-Backbone interact. energy: -0.303
local terms energy: -86.179937
where:
bonds (distance) C4'-P energy: -18.921
bonds (distance) P-C4' energy: -17.725
flat angles C4'-P-C4' energy: -20.377
flat angles P-C4'-P energy: -9.609
tors. eta vs tors. theta energy: -19.547
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 239
Temperature: 1.150000
Total energy: -236.293529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.293529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.293529 (E_RNA)
where:
Base-Base interactions energy: -154.103
where: short stacking energy: -63.926
Base-Backbone interact. energy: 0.965
local terms energy: -83.155183
where:
bonds (distance) C4'-P energy: -14.273
bonds (distance) P-C4' energy: -22.983
flat angles C4'-P-C4' energy: -17.286
flat angles P-C4'-P energy: -15.537
tors. eta vs tors. theta energy: -13.077
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 239
Temperature: 1.200000
Total energy: -244.884967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.884967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.884967 (E_RNA)
where:
Base-Base interactions energy: -159.633
where: short stacking energy: -72.573
Base-Backbone interact. energy: -0.711
local terms energy: -84.541454
where:
bonds (distance) C4'-P energy: -17.768
bonds (distance) P-C4' energy: -18.421
flat angles C4'-P-C4' energy: -18.897
flat angles P-C4'-P energy: -14.284
tors. eta vs tors. theta energy: -15.172
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 239
Temperature: 1.250000
Total energy: -192.007581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.007581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.007581 (E_RNA)
where:
Base-Base interactions energy: -120.118
where: short stacking energy: -54.845
Base-Backbone interact. energy: -0.366
local terms energy: -71.524171
where:
bonds (distance) C4'-P energy: -18.150
bonds (distance) P-C4' energy: -14.707
flat angles C4'-P-C4' energy: -16.529
flat angles P-C4'-P energy: -8.726
tors. eta vs tors. theta energy: -13.412
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 239
Temperature: 1.300000
Total energy: -180.979313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.979313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.979313 (E_RNA)
where:
Base-Base interactions energy: -111.007
where: short stacking energy: -56.991
Base-Backbone interact. energy: -0.550
local terms energy: -69.422351
where:
bonds (distance) C4'-P energy: -8.534
bonds (distance) P-C4' energy: -20.057
flat angles C4'-P-C4' energy: -17.390
flat angles P-C4'-P energy: -14.549
tors. eta vs tors. theta energy: -8.893
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 239
Temperature: 1.350000
Total energy: -92.613528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.613528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.613528 (E_RNA)
where:
Base-Base interactions energy: -28.245
where: short stacking energy: -26.933
Base-Backbone interact. energy: -0.363
local terms energy: -64.006169
where:
bonds (distance) C4'-P energy: -19.608
bonds (distance) P-C4' energy: -14.321
flat angles C4'-P-C4' energy: -16.906
flat angles P-C4'-P energy: -14.780
tors. eta vs tors. theta energy: 1.610
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 240
Temperature: 0.900000
Total energy: -341.833066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.833066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.833066 (E_RNA)
where:
Base-Base interactions energy: -234.051
where: short stacking energy: -97.924
Base-Backbone interact. energy: 0.324
local terms energy: -108.106340
where:
bonds (distance) C4'-P energy: -20.264
bonds (distance) P-C4' energy: -22.228
flat angles C4'-P-C4' energy: -22.701
flat angles P-C4'-P energy: -16.933
tors. eta vs tors. theta energy: -25.979
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 240
Temperature: 0.950000
Total energy: -291.758085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.758085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.758085 (E_RNA)
where:
Base-Base interactions energy: -195.827
where: short stacking energy: -95.048
Base-Backbone interact. energy: -3.377
local terms energy: -92.553748
where:
bonds (distance) C4'-P energy: -16.906
bonds (distance) P-C4' energy: -19.094
flat angles C4'-P-C4' energy: -18.574
flat angles P-C4'-P energy: -16.205
tors. eta vs tors. theta energy: -21.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 240
Temperature: 1.000000
Total energy: -270.780727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.780727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.780727 (E_RNA)
where:
Base-Base interactions energy: -178.685
where: short stacking energy: -82.158
Base-Backbone interact. energy: -0.377
local terms energy: -91.718900
where:
bonds (distance) C4'-P energy: -17.961
bonds (distance) P-C4' energy: -20.453
flat angles C4'-P-C4' energy: -18.667
flat angles P-C4'-P energy: -14.784
tors. eta vs tors. theta energy: -19.853
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 240
Temperature: 1.050000
Total energy: -270.643184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.643184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.643184 (E_RNA)
where:
Base-Base interactions energy: -183.100
where: short stacking energy: -77.863
Base-Backbone interact. energy: 0.361
local terms energy: -87.903510
where:
bonds (distance) C4'-P energy: -14.329
bonds (distance) P-C4' energy: -20.993
flat angles C4'-P-C4' energy: -20.499
flat angles P-C4'-P energy: -12.686
tors. eta vs tors. theta energy: -19.396
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 240
Temperature: 1.100000
Total energy: -271.977393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.977393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.977393 (E_RNA)
where:
Base-Base interactions energy: -193.767
where: short stacking energy: -92.090
Base-Backbone interact. energy: -0.153
local terms energy: -78.056857
where:
bonds (distance) C4'-P energy: -18.719
bonds (distance) P-C4' energy: -11.528
flat angles C4'-P-C4' energy: -14.277
flat angles P-C4'-P energy: -10.634
tors. eta vs tors. theta energy: -22.898
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 240
Temperature: 1.150000
Total energy: -230.745734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.745734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.745734 (E_RNA)
where:
Base-Base interactions energy: -149.378
where: short stacking energy: -71.509
Base-Backbone interact. energy: 2.229
local terms energy: -83.596080
where:
bonds (distance) C4'-P energy: -16.839
bonds (distance) P-C4' energy: -21.296
flat angles C4'-P-C4' energy: -17.926
flat angles P-C4'-P energy: -9.433
tors. eta vs tors. theta energy: -18.102
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 240
Temperature: 1.200000
Total energy: -237.807287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.807287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.807287 (E_RNA)
where:
Base-Base interactions energy: -163.978
where: short stacking energy: -63.804
Base-Backbone interact. energy: -0.114
local terms energy: -73.714858
where:
bonds (distance) C4'-P energy: -16.585
bonds (distance) P-C4' energy: -17.668
flat angles C4'-P-C4' energy: -19.252
flat angles P-C4'-P energy: -12.422
tors. eta vs tors. theta energy: -7.788
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 240
Temperature: 1.250000
Total energy: -181.738404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.738404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.738404 (E_RNA)
where:
Base-Base interactions energy: -105.721
where: short stacking energy: -48.981
Base-Backbone interact. energy: -1.547
local terms energy: -74.470023
where:
bonds (distance) C4'-P energy: -18.940
bonds (distance) P-C4' energy: -20.115
flat angles C4'-P-C4' energy: -18.023
flat angles P-C4'-P energy: -7.924
tors. eta vs tors. theta energy: -9.467
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 240
Temperature: 1.300000
Total energy: -172.703770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.703770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.703770 (E_RNA)
where:
Base-Base interactions energy: -101.404
where: short stacking energy: -44.387
Base-Backbone interact. energy: -0.224
local terms energy: -71.076109
where:
bonds (distance) C4'-P energy: -14.964
bonds (distance) P-C4' energy: -21.780
flat angles C4'-P-C4' energy: -20.954
flat angles P-C4'-P energy: -11.247
tors. eta vs tors. theta energy: -2.132
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 240
Temperature: 1.350000
Total energy: -103.046962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.046962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.046962 (E_RNA)
where:
Base-Base interactions energy: -40.019
where: short stacking energy: -40.019
Base-Backbone interact. energy: -0.672
local terms energy: -62.356259
where:
bonds (distance) C4'-P energy: -14.970
bonds (distance) P-C4' energy: -19.511
flat angles C4'-P-C4' energy: -13.697
flat angles P-C4'-P energy: -9.858
tors. eta vs tors. theta energy: -4.321
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 241
Temperature: 0.900000
Total energy: -338.436801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.436801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.436801 (E_RNA)
where:
Base-Base interactions energy: -241.819
where: short stacking energy: -101.193
Base-Backbone interact. energy: -1.367
local terms energy: -95.250893
where:
bonds (distance) C4'-P energy: -16.259
bonds (distance) P-C4' energy: -17.920
flat angles C4'-P-C4' energy: -21.014
flat angles P-C4'-P energy: -14.669
tors. eta vs tors. theta energy: -25.389
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 241
Temperature: 0.950000
Total energy: -278.464360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.464360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.464360 (E_RNA)
where:
Base-Base interactions energy: -188.661
where: short stacking energy: -83.904
Base-Backbone interact. energy: -0.128
local terms energy: -89.675649
where:
bonds (distance) C4'-P energy: -15.909
bonds (distance) P-C4' energy: -16.305
flat angles C4'-P-C4' energy: -21.726
flat angles P-C4'-P energy: -16.640
tors. eta vs tors. theta energy: -19.095
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 241
Temperature: 1.000000
Total energy: -299.088527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.088527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.088527 (E_RNA)
where:
Base-Base interactions energy: -196.126
where: short stacking energy: -94.433
Base-Backbone interact. energy: 0.179
local terms energy: -103.142065
where:
bonds (distance) C4'-P energy: -18.846
bonds (distance) P-C4' energy: -20.347
flat angles C4'-P-C4' energy: -20.884
flat angles P-C4'-P energy: -16.440
tors. eta vs tors. theta energy: -26.626
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 241
Temperature: 1.050000
Total energy: -294.295617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.295617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.295617 (E_RNA)
where:
Base-Base interactions energy: -201.881
where: short stacking energy: -82.440
Base-Backbone interact. energy: -0.691
local terms energy: -91.724075
where:
bonds (distance) C4'-P energy: -18.399
bonds (distance) P-C4' energy: -19.648
flat angles C4'-P-C4' energy: -18.726
flat angles P-C4'-P energy: -15.553
tors. eta vs tors. theta energy: -19.397
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 241
Temperature: 1.100000
Total energy: -275.790614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.790614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.790614 (E_RNA)
where:
Base-Base interactions energy: -186.635
where: short stacking energy: -76.899
Base-Backbone interact. energy: -0.957
local terms energy: -88.198681
where:
bonds (distance) C4'-P energy: -18.718
bonds (distance) P-C4' energy: -16.641
flat angles C4'-P-C4' energy: -20.936
flat angles P-C4'-P energy: -15.070
tors. eta vs tors. theta energy: -16.832
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 241
Temperature: 1.150000
Total energy: -239.145399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.145399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.145399 (E_RNA)
where:
Base-Base interactions energy: -150.477
where: short stacking energy: -64.326
Base-Backbone interact. energy: -0.016
local terms energy: -88.652466
where:
bonds (distance) C4'-P energy: -20.714
bonds (distance) P-C4' energy: -15.543
flat angles C4'-P-C4' energy: -19.209
flat angles P-C4'-P energy: -13.926
tors. eta vs tors. theta energy: -19.260
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 241
Temperature: 1.200000
Total energy: -225.816236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.816236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.816236 (E_RNA)
where:
Base-Base interactions energy: -150.373
where: short stacking energy: -63.179
Base-Backbone interact. energy: -0.050
local terms energy: -75.392557
where:
bonds (distance) C4'-P energy: -18.654
bonds (distance) P-C4' energy: -19.557
flat angles C4'-P-C4' energy: -18.353
flat angles P-C4'-P energy: -8.454
tors. eta vs tors. theta energy: -10.375
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 241
Temperature: 1.250000
Total energy: -179.373982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.373982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.373982 (E_RNA)
where:
Base-Base interactions energy: -110.085
where: short stacking energy: -57.772
Base-Backbone interact. energy: -0.259
local terms energy: -69.029680
where:
bonds (distance) C4'-P energy: -17.934
bonds (distance) P-C4' energy: -16.681
flat angles C4'-P-C4' energy: -12.457
flat angles P-C4'-P energy: -13.755
tors. eta vs tors. theta energy: -8.202
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 241
Temperature: 1.300000
Total energy: -179.033410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.033410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.033410 (E_RNA)
where:
Base-Base interactions energy: -106.378
where: short stacking energy: -62.200
Base-Backbone interact. energy: 3.219
local terms energy: -75.874473
where:
bonds (distance) C4'-P energy: -17.616
bonds (distance) P-C4' energy: -18.399
flat angles C4'-P-C4' energy: -19.287
flat angles P-C4'-P energy: -8.904
tors. eta vs tors. theta energy: -11.667
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 241
Temperature: 1.350000
Total energy: -95.579834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.579834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.579834 (E_RNA)
where:
Base-Base interactions energy: -37.272
where: short stacking energy: -31.367
Base-Backbone interact. energy: -0.289
local terms energy: -58.018547
where:
bonds (distance) C4'-P energy: -11.264
bonds (distance) P-C4' energy: -17.278
flat angles C4'-P-C4' energy: -19.448
flat angles P-C4'-P energy: -10.436
tors. eta vs tors. theta energy: 0.408
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 242
Temperature: 0.900000
Total energy: -342.935401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.935401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.935401 (E_RNA)
where:
Base-Base interactions energy: -241.052
where: short stacking energy: -101.128
Base-Backbone interact. energy: -0.544
local terms energy: -101.339370
where:
bonds (distance) C4'-P energy: -19.024
bonds (distance) P-C4' energy: -21.638
flat angles C4'-P-C4' energy: -21.928
flat angles P-C4'-P energy: -12.526
tors. eta vs tors. theta energy: -26.224
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 242
Temperature: 0.950000
Total energy: -269.203450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.203450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.203450 (E_RNA)
where:
Base-Base interactions energy: -191.075
where: short stacking energy: -84.135
Base-Backbone interact. energy: -0.186
local terms energy: -77.942471
where:
bonds (distance) C4'-P energy: -15.831
bonds (distance) P-C4' energy: -15.037
flat angles C4'-P-C4' energy: -15.057
flat angles P-C4'-P energy: -13.445
tors. eta vs tors. theta energy: -18.572
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 242
Temperature: 1.000000
Total energy: -305.710076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.710076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.710076 (E_RNA)
where:
Base-Base interactions energy: -204.994
where: short stacking energy: -96.869
Base-Backbone interact. energy: -0.193
local terms energy: -100.522262
where:
bonds (distance) C4'-P energy: -18.502
bonds (distance) P-C4' energy: -20.185
flat angles C4'-P-C4' energy: -21.959
flat angles P-C4'-P energy: -14.353
tors. eta vs tors. theta energy: -25.523
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 242
Temperature: 1.050000
Total energy: -291.892869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.892869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.892869 (E_RNA)
where:
Base-Base interactions energy: -206.181
where: short stacking energy: -95.260
Base-Backbone interact. energy: -0.003
local terms energy: -85.708250
where:
bonds (distance) C4'-P energy: -17.974
bonds (distance) P-C4' energy: -16.997
flat angles C4'-P-C4' energy: -21.155
flat angles P-C4'-P energy: -8.660
tors. eta vs tors. theta energy: -20.922
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 242
Temperature: 1.100000
Total energy: -252.910119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.910119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.910119 (E_RNA)
where:
Base-Base interactions energy: -168.724
where: short stacking energy: -69.851
Base-Backbone interact. energy: 0.900
local terms energy: -85.085932
where:
bonds (distance) C4'-P energy: -18.733
bonds (distance) P-C4' energy: -16.486
flat angles C4'-P-C4' energy: -20.214
flat angles P-C4'-P energy: -12.272
tors. eta vs tors. theta energy: -17.380
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 242
Temperature: 1.150000
Total energy: -252.046012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.046012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.046012 (E_RNA)
where:
Base-Base interactions energy: -161.488
where: short stacking energy: -84.913
Base-Backbone interact. energy: -0.002
local terms energy: -90.556047
where:
bonds (distance) C4'-P energy: -12.950
bonds (distance) P-C4' energy: -19.045
flat angles C4'-P-C4' energy: -20.112
flat angles P-C4'-P energy: -16.576
tors. eta vs tors. theta energy: -21.873
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 242
Temperature: 1.200000
Total energy: -238.999522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.999522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.999522 (E_RNA)
where:
Base-Base interactions energy: -161.333
where: short stacking energy: -74.258
Base-Backbone interact. energy: -0.287
local terms energy: -77.379124
where:
bonds (distance) C4'-P energy: -17.777
bonds (distance) P-C4' energy: -17.512
flat angles C4'-P-C4' energy: -12.562
flat angles P-C4'-P energy: -9.987
tors. eta vs tors. theta energy: -19.540
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 242
Temperature: 1.250000
Total energy: -205.811636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.811636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.811636 (E_RNA)
where:
Base-Base interactions energy: -134.502
where: short stacking energy: -46.401
Base-Backbone interact. energy: 0.741
local terms energy: -72.051184
where:
bonds (distance) C4'-P energy: -15.254
bonds (distance) P-C4' energy: -16.789
flat angles C4'-P-C4' energy: -17.583
flat angles P-C4'-P energy: -12.002
tors. eta vs tors. theta energy: -10.424
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 242
Temperature: 1.300000
Total energy: -186.556797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.556797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.556797 (E_RNA)
where:
Base-Base interactions energy: -115.223
where: short stacking energy: -51.478
Base-Backbone interact. energy: -0.070
local terms energy: -71.263879
where:
bonds (distance) C4'-P energy: -18.677
bonds (distance) P-C4' energy: -15.826
flat angles C4'-P-C4' energy: -13.205
flat angles P-C4'-P energy: -12.224
tors. eta vs tors. theta energy: -11.332
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 242
Temperature: 1.350000
Total energy: -109.045000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.045000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.045000 (E_RNA)
where:
Base-Base interactions energy: -53.921
where: short stacking energy: -28.193
Base-Backbone interact. energy: -0.617
local terms energy: -54.507255
where:
bonds (distance) C4'-P energy: -13.775
bonds (distance) P-C4' energy: -22.741
flat angles C4'-P-C4' energy: -14.611
flat angles P-C4'-P energy: -3.670
tors. eta vs tors. theta energy: 0.291
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 243
Temperature: 0.900000
Total energy: -351.889353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.889353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.889353 (E_RNA)
where:
Base-Base interactions energy: -260.746
where: short stacking energy: -99.379
Base-Backbone interact. energy: -0.248
local terms energy: -90.894970
where:
bonds (distance) C4'-P energy: -17.394
bonds (distance) P-C4' energy: -22.115
flat angles C4'-P-C4' energy: -13.314
flat angles P-C4'-P energy: -13.042
tors. eta vs tors. theta energy: -25.029
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 243
Temperature: 0.950000
Total energy: -298.747874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.747874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.747874 (E_RNA)
where:
Base-Base interactions energy: -196.133
where: short stacking energy: -91.423
Base-Backbone interact. energy: -0.551
local terms energy: -102.063265
where:
bonds (distance) C4'-P energy: -22.793
bonds (distance) P-C4' energy: -18.781
flat angles C4'-P-C4' energy: -23.044
flat angles P-C4'-P energy: -16.124
tors. eta vs tors. theta energy: -21.322
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 243
Temperature: 1.000000
Total energy: -269.361792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.361792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.361792 (E_RNA)
where:
Base-Base interactions energy: -181.998
where: short stacking energy: -85.608
Base-Backbone interact. energy: -0.113
local terms energy: -87.249919
where:
bonds (distance) C4'-P energy: -17.853
bonds (distance) P-C4' energy: -21.409
flat angles C4'-P-C4' energy: -20.453
flat angles P-C4'-P energy: -9.433
tors. eta vs tors. theta energy: -18.101
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 243
Temperature: 1.050000
Total energy: -278.984014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.984014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.984014 (E_RNA)
where:
Base-Base interactions energy: -203.161
where: short stacking energy: -78.014
Base-Backbone interact. energy: -0.181
local terms energy: -75.642241
where:
bonds (distance) C4'-P energy: -18.013
bonds (distance) P-C4' energy: -17.522
flat angles C4'-P-C4' energy: -15.299
flat angles P-C4'-P energy: -9.472
tors. eta vs tors. theta energy: -15.337
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 243
Temperature: 1.100000
Total energy: -281.026448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.026448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.026448 (E_RNA)
where:
Base-Base interactions energy: -186.785
where: short stacking energy: -83.338
Base-Backbone interact. energy: 2.734
local terms energy: -96.976141
where:
bonds (distance) C4'-P energy: -19.910
bonds (distance) P-C4' energy: -19.720
flat angles C4'-P-C4' energy: -20.869
flat angles P-C4'-P energy: -14.405
tors. eta vs tors. theta energy: -22.071
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 243
Temperature: 1.150000
Total energy: -240.714310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.714310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.714310 (E_RNA)
where:
Base-Base interactions energy: -158.663
where: short stacking energy: -79.514
Base-Backbone interact. energy: -0.244
local terms energy: -81.808017
where:
bonds (distance) C4'-P energy: -18.916
bonds (distance) P-C4' energy: -20.135
flat angles C4'-P-C4' energy: -16.947
flat angles P-C4'-P energy: -9.162
tors. eta vs tors. theta energy: -16.648
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 243
Temperature: 1.200000
Total energy: -230.876929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.876929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.876929 (E_RNA)
where:
Base-Base interactions energy: -143.620
where: short stacking energy: -59.619
Base-Backbone interact. energy: -0.096
local terms energy: -87.160997
where:
bonds (distance) C4'-P energy: -20.466
bonds (distance) P-C4' energy: -19.544
flat angles C4'-P-C4' energy: -15.327
flat angles P-C4'-P energy: -12.154
tors. eta vs tors. theta energy: -19.670
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 243
Temperature: 1.250000
Total energy: -204.380696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.380696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.380696 (E_RNA)
where:
Base-Base interactions energy: -125.754
where: short stacking energy: -66.828
Base-Backbone interact. energy: -0.199
local terms energy: -78.427592
where:
bonds (distance) C4'-P energy: -14.495
bonds (distance) P-C4' energy: -19.850
flat angles C4'-P-C4' energy: -16.636
flat angles P-C4'-P energy: -10.787
tors. eta vs tors. theta energy: -16.660
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 243
Temperature: 1.300000
Total energy: -198.282735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.282735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.282735 (E_RNA)
where:
Base-Base interactions energy: -120.623
where: short stacking energy: -66.402
Base-Backbone interact. energy: -0.646
local terms energy: -77.013889
where:
bonds (distance) C4'-P energy: -18.379
bonds (distance) P-C4' energy: -13.815
flat angles C4'-P-C4' energy: -19.221
flat angles P-C4'-P energy: -12.116
tors. eta vs tors. theta energy: -13.483
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 243
Temperature: 1.350000
Total energy: -94.098122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.098122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.098122 (E_RNA)
where:
Base-Base interactions energy: -41.397
where: short stacking energy: -41.397
Base-Backbone interact. energy: 0.123
local terms energy: -52.824101
where:
bonds (distance) C4'-P energy: -12.800
bonds (distance) P-C4' energy: -17.283
flat angles C4'-P-C4' energy: -14.726
flat angles P-C4'-P energy: -5.447
tors. eta vs tors. theta energy: -2.568
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 244
Temperature: 0.900000
Total energy: -355.331656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.331656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.331656 (E_RNA)
where:
Base-Base interactions energy: -252.445
where: short stacking energy: -100.542
Base-Backbone interact. energy: -0.469
local terms energy: -102.418143
where:
bonds (distance) C4'-P energy: -18.875
bonds (distance) P-C4' energy: -20.380
flat angles C4'-P-C4' energy: -22.160
flat angles P-C4'-P energy: -16.426
tors. eta vs tors. theta energy: -24.577
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 244
Temperature: 0.950000
Total energy: -305.969487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.969487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.969487 (E_RNA)
where:
Base-Base interactions energy: -206.467
where: short stacking energy: -101.020
Base-Backbone interact. energy: -2.027
local terms energy: -97.475952
where:
bonds (distance) C4'-P energy: -17.538
bonds (distance) P-C4' energy: -17.525
flat angles C4'-P-C4' energy: -22.332
flat angles P-C4'-P energy: -13.740
tors. eta vs tors. theta energy: -26.340
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 244
Temperature: 1.000000
Total energy: -288.644239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.644239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.644239 (E_RNA)
where:
Base-Base interactions energy: -193.478
where: short stacking energy: -87.148
Base-Backbone interact. energy: -0.125
local terms energy: -95.041232
where:
bonds (distance) C4'-P energy: -20.914
bonds (distance) P-C4' energy: -21.053
flat angles C4'-P-C4' energy: -17.850
flat angles P-C4'-P energy: -14.982
tors. eta vs tors. theta energy: -20.242
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 244
Temperature: 1.050000
Total energy: -273.446347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.446347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.446347 (E_RNA)
where:
Base-Base interactions energy: -183.361
where: short stacking energy: -86.365
Base-Backbone interact. energy: -0.616
local terms energy: -89.469126
where:
bonds (distance) C4'-P energy: -16.585
bonds (distance) P-C4' energy: -19.700
flat angles C4'-P-C4' energy: -19.802
flat angles P-C4'-P energy: -14.151
tors. eta vs tors. theta energy: -19.231
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 244
Temperature: 1.100000
Total energy: -270.940755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.940755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.940755 (E_RNA)
where:
Base-Base interactions energy: -185.819
where: short stacking energy: -82.982
Base-Backbone interact. energy: -0.718
local terms energy: -84.403133
where:
bonds (distance) C4'-P energy: -17.348
bonds (distance) P-C4' energy: -17.901
flat angles C4'-P-C4' energy: -16.421
flat angles P-C4'-P energy: -9.227
tors. eta vs tors. theta energy: -23.507
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 244
Temperature: 1.150000
Total energy: -240.196201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.196201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.196201 (E_RNA)
where:
Base-Base interactions energy: -154.873
where: short stacking energy: -85.225
Base-Backbone interact. energy: -0.030
local terms energy: -85.292897
where:
bonds (distance) C4'-P energy: -19.019
bonds (distance) P-C4' energy: -14.195
flat angles C4'-P-C4' energy: -19.336
flat angles P-C4'-P energy: -13.056
tors. eta vs tors. theta energy: -19.686
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 244
Temperature: 1.200000
Total energy: -226.646286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.646286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.646286 (E_RNA)
where:
Base-Base interactions energy: -145.429
where: short stacking energy: -71.930
Base-Backbone interact. energy: -0.090
local terms energy: -81.127966
where:
bonds (distance) C4'-P energy: -20.171
bonds (distance) P-C4' energy: -18.676
flat angles C4'-P-C4' energy: -16.516
flat angles P-C4'-P energy: -12.644
tors. eta vs tors. theta energy: -13.121
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 244
Temperature: 1.250000
Total energy: -184.493861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.493861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.493861 (E_RNA)
where:
Base-Base interactions energy: -112.881
where: short stacking energy: -55.900
Base-Backbone interact. energy: 0.047
local terms energy: -71.660051
where:
bonds (distance) C4'-P energy: -20.668
bonds (distance) P-C4' energy: -20.115
flat angles C4'-P-C4' energy: -12.982
flat angles P-C4'-P energy: -7.053
tors. eta vs tors. theta energy: -10.841
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 244
Temperature: 1.300000
Total energy: -186.559440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.559440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.559440 (E_RNA)
where:
Base-Base interactions energy: -120.685
where: short stacking energy: -51.377
Base-Backbone interact. energy: -0.734
local terms energy: -65.140527
where:
bonds (distance) C4'-P energy: -13.655
bonds (distance) P-C4' energy: -15.085
flat angles C4'-P-C4' energy: -17.775
flat angles P-C4'-P energy: -10.631
tors. eta vs tors. theta energy: -7.995
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 244
Temperature: 1.350000
Total energy: -105.644146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.644146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.644146 (E_RNA)
where:
Base-Base interactions energy: -44.327
where: short stacking energy: -41.988
Base-Backbone interact. energy: -0.054
local terms energy: -61.262517
where:
bonds (distance) C4'-P energy: -19.397
bonds (distance) P-C4' energy: -17.933
flat angles C4'-P-C4' energy: -10.228
flat angles P-C4'-P energy: -7.329
tors. eta vs tors. theta energy: -6.375
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 245
Temperature: 0.900000
Total energy: -347.901291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.901291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.901291 (E_RNA)
where:
Base-Base interactions energy: -252.640
where: short stacking energy: -95.625
Base-Backbone interact. energy: -0.258
local terms energy: -95.003750
where:
bonds (distance) C4'-P energy: -19.757
bonds (distance) P-C4' energy: -14.386
flat angles C4'-P-C4' energy: -19.228
flat angles P-C4'-P energy: -16.894
tors. eta vs tors. theta energy: -24.738
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 245
Temperature: 0.950000
Total energy: -299.741256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.741256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.741256 (E_RNA)
where:
Base-Base interactions energy: -202.488
where: short stacking energy: -90.802
Base-Backbone interact. energy: -0.294
local terms energy: -96.959502
where:
bonds (distance) C4'-P energy: -16.706
bonds (distance) P-C4' energy: -19.998
flat angles C4'-P-C4' energy: -21.430
flat angles P-C4'-P energy: -14.072
tors. eta vs tors. theta energy: -24.753
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 245
Temperature: 1.000000
Total energy: -303.415259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.415259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.415259 (E_RNA)
where:
Base-Base interactions energy: -205.794
where: short stacking energy: -89.989
Base-Backbone interact. energy: -0.397
local terms energy: -97.224263
where:
bonds (distance) C4'-P energy: -17.193
bonds (distance) P-C4' energy: -21.198
flat angles C4'-P-C4' energy: -21.105
flat angles P-C4'-P energy: -13.247
tors. eta vs tors. theta energy: -24.482
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 245
Temperature: 1.050000
Total energy: -286.954365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.954365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.954365 (E_RNA)
where:
Base-Base interactions energy: -192.084
where: short stacking energy: -76.730
Base-Backbone interact. energy: -0.425
local terms energy: -94.445237
where:
bonds (distance) C4'-P energy: -16.884
bonds (distance) P-C4' energy: -21.560
flat angles C4'-P-C4' energy: -21.924
flat angles P-C4'-P energy: -14.926
tors. eta vs tors. theta energy: -19.151
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 245
Temperature: 1.100000
Total energy: -264.808969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.808969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.808969 (E_RNA)
where:
Base-Base interactions energy: -181.093
where: short stacking energy: -83.164
Base-Backbone interact. energy: 0.332
local terms energy: -84.047180
where:
bonds (distance) C4'-P energy: -14.703
bonds (distance) P-C4' energy: -18.073
flat angles C4'-P-C4' energy: -20.239
flat angles P-C4'-P energy: -13.443
tors. eta vs tors. theta energy: -17.589
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 245
Temperature: 1.150000
Total energy: -233.169241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.169241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.169241 (E_RNA)
where:
Base-Base interactions energy: -150.028
where: short stacking energy: -66.324
Base-Backbone interact. energy: -0.274
local terms energy: -82.866805
where:
bonds (distance) C4'-P energy: -13.519
bonds (distance) P-C4' energy: -23.170
flat angles C4'-P-C4' energy: -19.547
flat angles P-C4'-P energy: -14.396
tors. eta vs tors. theta energy: -12.234
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 245
Temperature: 1.200000
Total energy: -240.856854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.856854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.856854 (E_RNA)
where:
Base-Base interactions energy: -151.974
where: short stacking energy: -82.060
Base-Backbone interact. energy: -0.065
local terms energy: -88.817881
where:
bonds (distance) C4'-P energy: -19.786
bonds (distance) P-C4' energy: -20.189
flat angles C4'-P-C4' energy: -14.847
flat angles P-C4'-P energy: -11.962
tors. eta vs tors. theta energy: -22.034
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 245
Temperature: 1.250000
Total energy: -186.560401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.560401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.560401 (E_RNA)
where:
Base-Base interactions energy: -124.622
where: short stacking energy: -63.788
Base-Backbone interact. energy: -0.097
local terms energy: -61.842168
where:
bonds (distance) C4'-P energy: -20.275
bonds (distance) P-C4' energy: -9.228
flat angles C4'-P-C4' energy: -17.734
flat angles P-C4'-P energy: -9.261
tors. eta vs tors. theta energy: -5.343
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 245
Temperature: 1.300000
Total energy: -154.519835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.519835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.519835 (E_RNA)
where:
Base-Base interactions energy: -87.339
where: short stacking energy: -33.529
Base-Backbone interact. energy: -0.690
local terms energy: -66.490286
where:
bonds (distance) C4'-P energy: -18.337
bonds (distance) P-C4' energy: -20.799
flat angles C4'-P-C4' energy: -8.754
flat angles P-C4'-P energy: -9.828
tors. eta vs tors. theta energy: -8.773
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 245
Temperature: 1.350000
Total energy: -101.040827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.040827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.040827 (E_RNA)
where:
Base-Base interactions energy: -39.467
where: short stacking energy: -34.660
Base-Backbone interact. energy: 0.569
local terms energy: -62.142374
where:
bonds (distance) C4'-P energy: -10.998
bonds (distance) P-C4' energy: -16.773
flat angles C4'-P-C4' energy: -18.804
flat angles P-C4'-P energy: -9.993
tors. eta vs tors. theta energy: -5.575
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 246
Temperature: 0.900000
Total energy: -351.149297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.149297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.149297 (E_RNA)
where:
Base-Base interactions energy: -252.744
where: short stacking energy: -107.663
Base-Backbone interact. energy: -0.668
local terms energy: -97.737394
where:
bonds (distance) C4'-P energy: -13.953
bonds (distance) P-C4' energy: -21.856
flat angles C4'-P-C4' energy: -21.050
flat angles P-C4'-P energy: -13.810
tors. eta vs tors. theta energy: -27.069
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 246
Temperature: 0.950000
Total energy: -293.461926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.461926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.461926 (E_RNA)
where:
Base-Base interactions energy: -200.557
where: short stacking energy: -82.285
Base-Backbone interact. energy: 1.830
local terms energy: -94.734574
where:
bonds (distance) C4'-P energy: -20.692
bonds (distance) P-C4' energy: -20.887
flat angles C4'-P-C4' energy: -18.839
flat angles P-C4'-P energy: -12.434
tors. eta vs tors. theta energy: -21.883
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 246
Temperature: 1.000000
Total energy: -294.108268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.108268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.108268 (E_RNA)
where:
Base-Base interactions energy: -199.139
where: short stacking energy: -89.769
Base-Backbone interact. energy: -0.290
local terms energy: -94.679626
where:
bonds (distance) C4'-P energy: -15.931
bonds (distance) P-C4' energy: -19.992
flat angles C4'-P-C4' energy: -18.978
flat angles P-C4'-P energy: -13.123
tors. eta vs tors. theta energy: -26.656
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 246
Temperature: 1.050000
Total energy: -289.919694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.919694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.919694 (E_RNA)
where:
Base-Base interactions energy: -198.895
where: short stacking energy: -89.236
Base-Backbone interact. energy: -0.701
local terms energy: -90.322933
where:
bonds (distance) C4'-P energy: -12.883
bonds (distance) P-C4' energy: -16.891
flat angles C4'-P-C4' energy: -23.394
flat angles P-C4'-P energy: -10.164
tors. eta vs tors. theta energy: -26.991
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 246
Temperature: 1.100000
Total energy: -264.563892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.563892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.563892 (E_RNA)
where:
Base-Base interactions energy: -178.796
where: short stacking energy: -80.385
Base-Backbone interact. energy: -0.103
local terms energy: -85.665276
where:
bonds (distance) C4'-P energy: -17.501
bonds (distance) P-C4' energy: -19.977
flat angles C4'-P-C4' energy: -21.017
flat angles P-C4'-P energy: -10.140
tors. eta vs tors. theta energy: -17.030
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 246
Temperature: 1.150000
Total energy: -225.326568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.326568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.326568 (E_RNA)
where:
Base-Base interactions energy: -143.744
where: short stacking energy: -69.419
Base-Backbone interact. energy: -0.028
local terms energy: -81.554440
where:
bonds (distance) C4'-P energy: -19.595
bonds (distance) P-C4' energy: -15.486
flat angles C4'-P-C4' energy: -18.335
flat angles P-C4'-P energy: -12.301
tors. eta vs tors. theta energy: -15.837
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 246
Temperature: 1.200000
Total energy: -236.229665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.229665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.229665 (E_RNA)
where:
Base-Base interactions energy: -158.444
where: short stacking energy: -79.723
Base-Backbone interact. energy: -0.021
local terms energy: -77.763836
where:
bonds (distance) C4'-P energy: -11.974
bonds (distance) P-C4' energy: -19.394
flat angles C4'-P-C4' energy: -15.312
flat angles P-C4'-P energy: -13.696
tors. eta vs tors. theta energy: -17.388
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 246
Temperature: 1.250000
Total energy: -198.327159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.327159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.327159 (E_RNA)
where:
Base-Base interactions energy: -124.749
where: short stacking energy: -59.193
Base-Backbone interact. energy: -0.313
local terms energy: -73.264555
where:
bonds (distance) C4'-P energy: -20.995
bonds (distance) P-C4' energy: -18.005
flat angles C4'-P-C4' energy: -11.630
flat angles P-C4'-P energy: -9.387
tors. eta vs tors. theta energy: -13.248
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 246
Temperature: 1.300000
Total energy: -157.213760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.213760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.213760 (E_RNA)
where:
Base-Base interactions energy: -86.181
where: short stacking energy: -48.187
Base-Backbone interact. energy: -0.412
local terms energy: -70.620714
where:
bonds (distance) C4'-P energy: -14.396
bonds (distance) P-C4' energy: -17.182
flat angles C4'-P-C4' energy: -14.098
flat angles P-C4'-P energy: -13.463
tors. eta vs tors. theta energy: -11.482
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 246
Temperature: 1.350000
Total energy: -113.694407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.694407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.694407 (E_RNA)
where:
Base-Base interactions energy: -51.356
where: short stacking energy: -24.934
Base-Backbone interact. energy: -0.958
local terms energy: -61.380059
where:
bonds (distance) C4'-P energy: -17.058
bonds (distance) P-C4' energy: -16.042
flat angles C4'-P-C4' energy: -13.790
flat angles P-C4'-P energy: -13.993
tors. eta vs tors. theta energy: -0.497
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 247
Temperature: 0.900000
Total energy: -342.500426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.500426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.500426 (E_RNA)
where:
Base-Base interactions energy: -247.932
where: short stacking energy: -100.664
Base-Backbone interact. energy: -0.222
local terms energy: -94.346182
where:
bonds (distance) C4'-P energy: -19.853
bonds (distance) P-C4' energy: -19.824
flat angles C4'-P-C4' energy: -16.582
flat angles P-C4'-P energy: -11.278
tors. eta vs tors. theta energy: -26.809
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 247
Temperature: 0.950000
Total energy: -303.926438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.926438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.926438 (E_RNA)
where:
Base-Base interactions energy: -211.059
where: short stacking energy: -98.600
Base-Backbone interact. energy: -0.014
local terms energy: -92.853010
where:
bonds (distance) C4'-P energy: -20.669
bonds (distance) P-C4' energy: -18.282
flat angles C4'-P-C4' energy: -19.501
flat angles P-C4'-P energy: -11.210
tors. eta vs tors. theta energy: -23.191
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 247
Temperature: 1.000000
Total energy: -274.309084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.309084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.309084 (E_RNA)
where:
Base-Base interactions energy: -187.582
where: short stacking energy: -70.295
Base-Backbone interact. energy: -0.238
local terms energy: -86.489127
where:
bonds (distance) C4'-P energy: -17.208
bonds (distance) P-C4' energy: -20.094
flat angles C4'-P-C4' energy: -19.748
flat angles P-C4'-P energy: -14.288
tors. eta vs tors. theta energy: -15.152
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 247
Temperature: 1.050000
Total energy: -251.936512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.936512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.936512 (E_RNA)
where:
Base-Base interactions energy: -170.414
where: short stacking energy: -67.307
Base-Backbone interact. energy: -0.506
local terms energy: -81.017019
where:
bonds (distance) C4'-P energy: -18.918
bonds (distance) P-C4' energy: -19.565
flat angles C4'-P-C4' energy: -15.732
flat angles P-C4'-P energy: -15.958
tors. eta vs tors. theta energy: -10.844
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 247
Temperature: 1.100000
Total energy: -268.877865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.877865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.877865 (E_RNA)
where:
Base-Base interactions energy: -185.207
where: short stacking energy: -82.571
Base-Backbone interact. energy: -0.366
local terms energy: -83.304308
where:
bonds (distance) C4'-P energy: -17.195
bonds (distance) P-C4' energy: -17.466
flat angles C4'-P-C4' energy: -16.609
flat angles P-C4'-P energy: -11.922
tors. eta vs tors. theta energy: -20.113
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 247
Temperature: 1.150000
Total energy: -258.442210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.442210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.442210 (E_RNA)
where:
Base-Base interactions energy: -179.139
where: short stacking energy: -70.711
Base-Backbone interact. energy: -0.132
local terms energy: -79.171089
where:
bonds (distance) C4'-P energy: -15.526
bonds (distance) P-C4' energy: -19.763
flat angles C4'-P-C4' energy: -20.360
flat angles P-C4'-P energy: -10.218
tors. eta vs tors. theta energy: -13.305
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 247
Temperature: 1.200000
Total energy: -194.351573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.351573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.351573 (E_RNA)
where:
Base-Base interactions energy: -123.893
where: short stacking energy: -74.907
Base-Backbone interact. energy: -0.086
local terms energy: -70.373198
where:
bonds (distance) C4'-P energy: -10.983
bonds (distance) P-C4' energy: -17.353
flat angles C4'-P-C4' energy: -20.679
flat angles P-C4'-P energy: -10.365
tors. eta vs tors. theta energy: -10.993
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 247
Temperature: 1.250000
Total energy: -195.101371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.101371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.101371 (E_RNA)
where:
Base-Base interactions energy: -116.103
where: short stacking energy: -58.588
Base-Backbone interact. energy: -0.342
local terms energy: -78.656984
where:
bonds (distance) C4'-P energy: -19.754
bonds (distance) P-C4' energy: -20.411
flat angles C4'-P-C4' energy: -14.198
flat angles P-C4'-P energy: -12.588
tors. eta vs tors. theta energy: -11.706
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 247
Temperature: 1.300000
Total energy: -152.110447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.110447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.110447 (E_RNA)
where:
Base-Base interactions energy: -77.383
where: short stacking energy: -38.931
Base-Backbone interact. energy: -0.354
local terms energy: -74.372741
where:
bonds (distance) C4'-P energy: -18.624
bonds (distance) P-C4' energy: -15.865
flat angles C4'-P-C4' energy: -20.730
flat angles P-C4'-P energy: -14.508
tors. eta vs tors. theta energy: -4.646
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 247
Temperature: 1.350000
Total energy: -116.599559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.599559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.599559 (E_RNA)
where:
Base-Base interactions energy: -43.948
where: short stacking energy: -43.070
Base-Backbone interact. energy: 3.451
local terms energy: -76.103031
where:
bonds (distance) C4'-P energy: -20.667
bonds (distance) P-C4' energy: -20.392
flat angles C4'-P-C4' energy: -13.991
flat angles P-C4'-P energy: -12.630
tors. eta vs tors. theta energy: -8.423
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 248
Temperature: 0.900000
Total energy: -299.027621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.027621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.027621 (E_RNA)
where:
Base-Base interactions energy: -198.991
where: short stacking energy: -92.885
Base-Backbone interact. energy: -0.033
local terms energy: -100.003935
where:
bonds (distance) C4'-P energy: -20.776
bonds (distance) P-C4' energy: -21.210
flat angles C4'-P-C4' energy: -20.058
flat angles P-C4'-P energy: -14.883
tors. eta vs tors. theta energy: -23.077
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 248
Temperature: 0.950000
Total energy: -332.490862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.490862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.490862 (E_RNA)
where:
Base-Base interactions energy: -238.927
where: short stacking energy: -97.998
Base-Backbone interact. energy: 0.685
local terms energy: -94.248619
where:
bonds (distance) C4'-P energy: -20.253
bonds (distance) P-C4' energy: -17.986
flat angles C4'-P-C4' energy: -20.003
flat angles P-C4'-P energy: -13.378
tors. eta vs tors. theta energy: -22.629
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 248
Temperature: 1.000000
Total energy: -254.133414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.133414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.133414 (E_RNA)
where:
Base-Base interactions energy: -166.774
where: short stacking energy: -72.003
Base-Backbone interact. energy: -0.062
local terms energy: -87.297975
where:
bonds (distance) C4'-P energy: -16.107
bonds (distance) P-C4' energy: -18.315
flat angles C4'-P-C4' energy: -23.555
flat angles P-C4'-P energy: -12.114
tors. eta vs tors. theta energy: -17.207
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 248
Temperature: 1.050000
Total energy: -275.716611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.716611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.716611 (E_RNA)
where:
Base-Base interactions energy: -191.102
where: short stacking energy: -78.292
Base-Backbone interact. energy: 0.121
local terms energy: -84.735152
where:
bonds (distance) C4'-P energy: -14.947
bonds (distance) P-C4' energy: -19.057
flat angles C4'-P-C4' energy: -17.609
flat angles P-C4'-P energy: -16.108
tors. eta vs tors. theta energy: -17.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 248
Temperature: 1.100000
Total energy: -249.593537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.593537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.593537 (E_RNA)
where:
Base-Base interactions energy: -170.894
where: short stacking energy: -64.097
Base-Backbone interact. energy: -0.235
local terms energy: -78.464348
where:
bonds (distance) C4'-P energy: -13.773
bonds (distance) P-C4' energy: -19.118
flat angles C4'-P-C4' energy: -17.269
flat angles P-C4'-P energy: -13.419
tors. eta vs tors. theta energy: -14.886
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 248
Temperature: 1.150000
Total energy: -260.942205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.942205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.942205 (E_RNA)
where:
Base-Base interactions energy: -178.262
where: short stacking energy: -82.425
Base-Backbone interact. energy: -1.252
local terms energy: -81.428112
where:
bonds (distance) C4'-P energy: -15.264
bonds (distance) P-C4' energy: -15.612
flat angles C4'-P-C4' energy: -16.722
flat angles P-C4'-P energy: -11.744
tors. eta vs tors. theta energy: -22.086
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 248
Temperature: 1.200000
Total energy: -196.831745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.831745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.831745 (E_RNA)
where:
Base-Base interactions energy: -113.687
where: short stacking energy: -53.341
Base-Backbone interact. energy: 0.025
local terms energy: -83.170281
where:
bonds (distance) C4'-P energy: -20.936
bonds (distance) P-C4' energy: -17.163
flat angles C4'-P-C4' energy: -21.539
flat angles P-C4'-P energy: -12.410
tors. eta vs tors. theta energy: -11.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 248
Temperature: 1.250000
Total energy: -197.098330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.098330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.098330 (E_RNA)
where:
Base-Base interactions energy: -129.318
where: short stacking energy: -56.973
Base-Backbone interact. energy: 0.189
local terms energy: -67.969996
where:
bonds (distance) C4'-P energy: -17.921
bonds (distance) P-C4' energy: -14.573
flat angles C4'-P-C4' energy: -16.748
flat angles P-C4'-P energy: -9.793
tors. eta vs tors. theta energy: -8.936
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 248
Temperature: 1.300000
Total energy: -115.842192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.842192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.842192 (E_RNA)
where:
Base-Base interactions energy: -50.058
where: short stacking energy: -50.058
Base-Backbone interact. energy: -0.008
local terms energy: -65.775921
where:
bonds (distance) C4'-P energy: -11.787
bonds (distance) P-C4' energy: -21.026
flat angles C4'-P-C4' energy: -15.165
flat angles P-C4'-P energy: -9.642
tors. eta vs tors. theta energy: -8.156
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 248
Temperature: 1.350000
Total energy: -144.460755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.460755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.460755 (E_RNA)
where:
Base-Base interactions energy: -79.456
where: short stacking energy: -31.115
Base-Backbone interact. energy: -0.296
local terms energy: -64.708673
where:
bonds (distance) C4'-P energy: -16.263
bonds (distance) P-C4' energy: -18.101
flat angles C4'-P-C4' energy: -13.881
flat angles P-C4'-P energy: -9.665
tors. eta vs tors. theta energy: -6.799
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 249
Temperature: 0.900000
Total energy: -306.115640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.115640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.115640 (E_RNA)
where:
Base-Base interactions energy: -209.373
where: short stacking energy: -96.352
Base-Backbone interact. energy: -0.011
local terms energy: -96.731357
where:
bonds (distance) C4'-P energy: -17.504
bonds (distance) P-C4' energy: -21.340
flat angles C4'-P-C4' energy: -18.745
flat angles P-C4'-P energy: -13.050
tors. eta vs tors. theta energy: -26.093
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 249
Temperature: 0.950000
Total energy: -336.969962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.969962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.969962 (E_RNA)
where:
Base-Base interactions energy: -235.724
where: short stacking energy: -96.784
Base-Backbone interact. energy: -0.447
local terms energy: -100.799408
where:
bonds (distance) C4'-P energy: -21.379
bonds (distance) P-C4' energy: -17.027
flat angles C4'-P-C4' energy: -21.556
flat angles P-C4'-P energy: -16.478
tors. eta vs tors. theta energy: -24.360
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 249
Temperature: 1.000000
Total energy: -268.705455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.705455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.705455 (E_RNA)
where:
Base-Base interactions energy: -183.087
where: short stacking energy: -89.059
Base-Backbone interact. energy: -0.142
local terms energy: -85.476527
where:
bonds (distance) C4'-P energy: -16.747
bonds (distance) P-C4' energy: -16.787
flat angles C4'-P-C4' energy: -18.896
flat angles P-C4'-P energy: -14.726
tors. eta vs tors. theta energy: -18.320
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 249
Temperature: 1.050000
Total energy: -268.125385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.125385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.125385 (E_RNA)
where:
Base-Base interactions energy: -185.688
where: short stacking energy: -84.060
Base-Backbone interact. energy: -0.143
local terms energy: -82.294429
where:
bonds (distance) C4'-P energy: -14.068
bonds (distance) P-C4' energy: -17.373
flat angles C4'-P-C4' energy: -19.296
flat angles P-C4'-P energy: -10.317
tors. eta vs tors. theta energy: -21.240
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 249
Temperature: 1.100000
Total energy: -252.674836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.674836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.674836 (E_RNA)
where:
Base-Base interactions energy: -167.402
where: short stacking energy: -81.018
Base-Backbone interact. energy: -0.007
local terms energy: -85.265312
where:
bonds (distance) C4'-P energy: -16.096
bonds (distance) P-C4' energy: -21.242
flat angles C4'-P-C4' energy: -20.366
flat angles P-C4'-P energy: -8.141
tors. eta vs tors. theta energy: -19.420
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 249
Temperature: 1.150000
Total energy: -254.891536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.891536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.891536 (E_RNA)
where:
Base-Base interactions energy: -177.686
where: short stacking energy: -68.607
Base-Backbone interact. energy: -0.250
local terms energy: -76.955313
where:
bonds (distance) C4'-P energy: -19.215
bonds (distance) P-C4' energy: -14.657
flat angles C4'-P-C4' energy: -13.792
flat angles P-C4'-P energy: -10.983
tors. eta vs tors. theta energy: -18.307
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 249
Temperature: 1.200000
Total energy: -247.925885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.925885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.925885 (E_RNA)
where:
Base-Base interactions energy: -158.419
where: short stacking energy: -93.115
Base-Backbone interact. energy: -0.180
local terms energy: -89.327558
where:
bonds (distance) C4'-P energy: -18.785
bonds (distance) P-C4' energy: -17.461
flat angles C4'-P-C4' energy: -17.591
flat angles P-C4'-P energy: -12.846
tors. eta vs tors. theta energy: -22.645
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 249
Temperature: 1.250000
Total energy: -116.863473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.863473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.863473 (E_RNA)
where:
Base-Base interactions energy: -45.323
where: short stacking energy: -44.108
Base-Backbone interact. energy: 0.530
local terms energy: -72.070485
where:
bonds (distance) C4'-P energy: -17.587
bonds (distance) P-C4' energy: -21.274
flat angles C4'-P-C4' energy: -12.429
flat angles P-C4'-P energy: -12.846
tors. eta vs tors. theta energy: -7.934
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 249
Temperature: 1.300000
Total energy: -182.962076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.962076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.962076 (E_RNA)
where:
Base-Base interactions energy: -118.397
where: short stacking energy: -47.984
Base-Backbone interact. energy: -0.220
local terms energy: -64.345118
where:
bonds (distance) C4'-P energy: -15.091
bonds (distance) P-C4' energy: -20.942
flat angles C4'-P-C4' energy: -15.891
flat angles P-C4'-P energy: -11.909
tors. eta vs tors. theta energy: -0.512
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 249
Temperature: 1.350000
Total energy: -107.644522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.644522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.644522 (E_RNA)
where:
Base-Base interactions energy: -38.245
where: short stacking energy: -23.991
Base-Backbone interact. energy: -0.369
local terms energy: -69.030700
where:
bonds (distance) C4'-P energy: -20.618
bonds (distance) P-C4' energy: -21.542
flat angles C4'-P-C4' energy: -14.740
flat angles P-C4'-P energy: -11.337
tors. eta vs tors. theta energy: -0.794
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 250
Temperature: 0.900000
Total energy: -337.081601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.081601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.081601 (E_RNA)
where:
Base-Base interactions energy: -243.472
where: short stacking energy: -100.733
Base-Backbone interact. energy: 5.128
local terms energy: -98.737948
where:
bonds (distance) C4'-P energy: -17.365
bonds (distance) P-C4' energy: -23.386
flat angles C4'-P-C4' energy: -16.140
flat angles P-C4'-P energy: -16.919
tors. eta vs tors. theta energy: -24.928
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 250
Temperature: 0.950000
Total energy: -309.612590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.612590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.612590 (E_RNA)
where:
Base-Base interactions energy: -206.502
where: short stacking energy: -94.080
Base-Backbone interact. energy: -0.509
local terms energy: -102.601175
where:
bonds (distance) C4'-P energy: -20.709
bonds (distance) P-C4' energy: -21.936
flat angles C4'-P-C4' energy: -19.740
flat angles P-C4'-P energy: -15.344
tors. eta vs tors. theta energy: -24.872
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 250
Temperature: 1.000000
Total energy: -264.795687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.795687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.795687 (E_RNA)
where:
Base-Base interactions energy: -175.777
where: short stacking energy: -82.560
Base-Backbone interact. energy: -0.011
local terms energy: -89.007955
where:
bonds (distance) C4'-P energy: -20.433
bonds (distance) P-C4' energy: -19.182
flat angles C4'-P-C4' energy: -19.196
flat angles P-C4'-P energy: -8.540
tors. eta vs tors. theta energy: -21.657
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 250
Temperature: 1.050000
Total energy: -265.388024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.388024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.388024 (E_RNA)
where:
Base-Base interactions energy: -176.620
where: short stacking energy: -79.047
Base-Backbone interact. energy: -0.110
local terms energy: -88.657903
where:
bonds (distance) C4'-P energy: -21.702
bonds (distance) P-C4' energy: -17.330
flat angles C4'-P-C4' energy: -19.291
flat angles P-C4'-P energy: -12.147
tors. eta vs tors. theta energy: -18.187
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 250
Temperature: 1.100000
Total energy: -267.394124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.394124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.394124 (E_RNA)
where:
Base-Base interactions energy: -179.032
where: short stacking energy: -79.401
Base-Backbone interact. energy: -0.406
local terms energy: -87.956577
where:
bonds (distance) C4'-P energy: -19.960
bonds (distance) P-C4' energy: -16.362
flat angles C4'-P-C4' energy: -20.569
flat angles P-C4'-P energy: -11.202
tors. eta vs tors. theta energy: -19.863
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 250
Temperature: 1.150000
Total energy: -250.388533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.388533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.388533 (E_RNA)
where:
Base-Base interactions energy: -170.901
where: short stacking energy: -73.739
Base-Backbone interact. energy: 0.086
local terms energy: -79.573378
where:
bonds (distance) C4'-P energy: -18.407
bonds (distance) P-C4' energy: -16.848
flat angles C4'-P-C4' energy: -18.607
flat angles P-C4'-P energy: -13.234
tors. eta vs tors. theta energy: -12.477
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 250
Temperature: 1.200000
Total energy: -211.919503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.919503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.919503 (E_RNA)
where:
Base-Base interactions energy: -140.378
where: short stacking energy: -77.962
Base-Backbone interact. energy: -0.051
local terms energy: -71.490669
where:
bonds (distance) C4'-P energy: -9.081
bonds (distance) P-C4' energy: -15.924
flat angles C4'-P-C4' energy: -17.845
flat angles P-C4'-P energy: -11.350
tors. eta vs tors. theta energy: -17.291
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 250
Temperature: 1.250000
Total energy: -112.753254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.753254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.753254 (E_RNA)
where:
Base-Base interactions energy: -55.685
where: short stacking energy: -49.567
Base-Backbone interact. energy: 0.686
local terms energy: -57.754307
where:
bonds (distance) C4'-P energy: -15.439
bonds (distance) P-C4' energy: -19.594
flat angles C4'-P-C4' energy: -9.563
flat angles P-C4'-P energy: -11.658
tors. eta vs tors. theta energy: -1.500
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 250
Temperature: 1.300000
Total energy: -218.320639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.320639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.320639 (E_RNA)
where:
Base-Base interactions energy: -132.649
where: short stacking energy: -69.388
Base-Backbone interact. energy: -0.645
local terms energy: -85.026358
where:
bonds (distance) C4'-P energy: -16.330
bonds (distance) P-C4' energy: -21.412
flat angles C4'-P-C4' energy: -19.180
flat angles P-C4'-P energy: -9.557
tors. eta vs tors. theta energy: -18.547
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 250
Temperature: 1.350000
Total energy: -101.854846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.854846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.854846 (E_RNA)
where:
Base-Base interactions energy: -52.465
where: short stacking energy: -30.660
Base-Backbone interact. energy: 0.576
local terms energy: -49.965683
where:
bonds (distance) C4'-P energy: -12.020
bonds (distance) P-C4' energy: -21.426
flat angles C4'-P-C4' energy: -15.656
flat angles P-C4'-P energy: -4.959
tors. eta vs tors. theta energy: 4.096
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 251
Temperature: 0.900000
Total energy: -335.421193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.421193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.421193 (E_RNA)
where:
Base-Base interactions energy: -240.322
where: short stacking energy: -88.991
Base-Backbone interact. energy: -0.696
local terms energy: -94.403722
where:
bonds (distance) C4'-P energy: -17.150
bonds (distance) P-C4' energy: -16.354
flat angles C4'-P-C4' energy: -20.609
flat angles P-C4'-P energy: -14.591
tors. eta vs tors. theta energy: -25.700
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 251
Temperature: 0.950000
Total energy: -307.161280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.161280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.161280 (E_RNA)
where:
Base-Base interactions energy: -208.908
where: short stacking energy: -97.578
Base-Backbone interact. energy: -0.012
local terms energy: -98.241495
where:
bonds (distance) C4'-P energy: -19.596
bonds (distance) P-C4' energy: -19.185
flat angles C4'-P-C4' energy: -18.880
flat angles P-C4'-P energy: -13.970
tors. eta vs tors. theta energy: -26.611
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 251
Temperature: 1.000000
Total energy: -267.973304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.973304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.973304 (E_RNA)
where:
Base-Base interactions energy: -180.334
where: short stacking energy: -76.244
Base-Backbone interact. energy: 0.308
local terms energy: -87.947826
where:
bonds (distance) C4'-P energy: -18.436
bonds (distance) P-C4' energy: -22.624
flat angles C4'-P-C4' energy: -19.587
flat angles P-C4'-P energy: -9.546
tors. eta vs tors. theta energy: -17.755
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 251
Temperature: 1.050000
Total energy: -281.768846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.768846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.768846 (E_RNA)
where:
Base-Base interactions energy: -186.681
where: short stacking energy: -85.496
Base-Backbone interact. energy: -0.837
local terms energy: -94.250581
where:
bonds (distance) C4'-P energy: -12.911
bonds (distance) P-C4' energy: -20.616
flat angles C4'-P-C4' energy: -22.893
flat angles P-C4'-P energy: -17.158
tors. eta vs tors. theta energy: -20.673
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 251
Temperature: 1.100000
Total energy: -257.353420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.353420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.353420 (E_RNA)
where:
Base-Base interactions energy: -172.684
where: short stacking energy: -78.859
Base-Backbone interact. energy: -0.283
local terms energy: -84.386614
where:
bonds (distance) C4'-P energy: -18.363
bonds (distance) P-C4' energy: -19.217
flat angles C4'-P-C4' energy: -16.822
flat angles P-C4'-P energy: -10.535
tors. eta vs tors. theta energy: -19.450
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 251
Temperature: 1.150000
Total energy: -248.323510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.323510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.323510 (E_RNA)
where:
Base-Base interactions energy: -168.315
where: short stacking energy: -70.250
Base-Backbone interact. energy: -0.203
local terms energy: -79.805477
where:
bonds (distance) C4'-P energy: -17.005
bonds (distance) P-C4' energy: -16.691
flat angles C4'-P-C4' energy: -19.638
flat angles P-C4'-P energy: -13.551
tors. eta vs tors. theta energy: -12.920
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 251
Temperature: 1.200000
Total energy: -204.053870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.053870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.053870 (E_RNA)
where:
Base-Base interactions energy: -126.659
where: short stacking energy: -74.581
Base-Backbone interact. energy: -0.778
local terms energy: -76.616945
where:
bonds (distance) C4'-P energy: -12.577
bonds (distance) P-C4' energy: -18.017
flat angles C4'-P-C4' energy: -20.436
flat angles P-C4'-P energy: -8.813
tors. eta vs tors. theta energy: -16.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 251
Temperature: 1.250000
Total energy: -179.722382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.722382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.722382 (E_RNA)
where:
Base-Base interactions energy: -113.847
where: short stacking energy: -54.873
Base-Backbone interact. energy: -0.211
local terms energy: -65.665205
where:
bonds (distance) C4'-P energy: -9.530
bonds (distance) P-C4' energy: -17.673
flat angles C4'-P-C4' energy: -16.138
flat angles P-C4'-P energy: -14.155
tors. eta vs tors. theta energy: -8.169
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 251
Temperature: 1.300000
Total energy: -100.240797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.240797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.240797 (E_RNA)
where:
Base-Base interactions energy: -40.824
where: short stacking energy: -38.272
Base-Backbone interact. energy: -0.366
local terms energy: -59.050558
where:
bonds (distance) C4'-P energy: -20.402
bonds (distance) P-C4' energy: -16.561
flat angles C4'-P-C4' energy: -13.328
flat angles P-C4'-P energy: -8.545
tors. eta vs tors. theta energy: -0.215
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 251
Temperature: 1.350000
Total energy: -101.303537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.303537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.303537 (E_RNA)
where:
Base-Base interactions energy: -42.947
where: short stacking energy: -38.305
Base-Backbone interact. energy: -0.303
local terms energy: -58.053276
where:
bonds (distance) C4'-P energy: -16.910
bonds (distance) P-C4' energy: -18.911
flat angles C4'-P-C4' energy: -17.945
flat angles P-C4'-P energy: -8.203
tors. eta vs tors. theta energy: 3.916
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 252
Temperature: 0.900000
Total energy: -318.276872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.276872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.276872 (E_RNA)
where:
Base-Base interactions energy: -220.658
where: short stacking energy: -98.073
Base-Backbone interact. energy: -0.134
local terms energy: -97.484268
where:
bonds (distance) C4'-P energy: -18.031
bonds (distance) P-C4' energy: -19.978
flat angles C4'-P-C4' energy: -19.605
flat angles P-C4'-P energy: -13.760
tors. eta vs tors. theta energy: -26.110
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 252
Temperature: 0.950000
Total energy: -335.466095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.466095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.466095 (E_RNA)
where:
Base-Base interactions energy: -241.155
where: short stacking energy: -101.219
Base-Backbone interact. energy: -0.236
local terms energy: -94.075083
where:
bonds (distance) C4'-P energy: -15.935
bonds (distance) P-C4' energy: -14.458
flat angles C4'-P-C4' energy: -22.056
flat angles P-C4'-P energy: -16.927
tors. eta vs tors. theta energy: -24.699
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 252
Temperature: 1.000000
Total energy: -287.581495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.581495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.581495 (E_RNA)
where:
Base-Base interactions energy: -197.462
where: short stacking energy: -101.607
Base-Backbone interact. energy: -0.162
local terms energy: -89.957186
where:
bonds (distance) C4'-P energy: -12.577
bonds (distance) P-C4' energy: -18.389
flat angles C4'-P-C4' energy: -20.288
flat angles P-C4'-P energy: -17.451
tors. eta vs tors. theta energy: -21.252
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 252
Temperature: 1.050000
Total energy: -268.161937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.161937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.161937 (E_RNA)
where:
Base-Base interactions energy: -179.390
where: short stacking energy: -77.602
Base-Backbone interact. energy: -0.206
local terms energy: -88.566405
where:
bonds (distance) C4'-P energy: -21.238
bonds (distance) P-C4' energy: -19.026
flat angles C4'-P-C4' energy: -15.924
flat angles P-C4'-P energy: -14.294
tors. eta vs tors. theta energy: -18.084
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 252
Temperature: 1.100000
Total energy: -263.520217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.520217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.520217 (E_RNA)
where:
Base-Base interactions energy: -173.386
where: short stacking energy: -74.287
Base-Backbone interact. energy: -0.394
local terms energy: -89.740116
where:
bonds (distance) C4'-P energy: -18.032
bonds (distance) P-C4' energy: -21.174
flat angles C4'-P-C4' energy: -17.369
flat angles P-C4'-P energy: -15.244
tors. eta vs tors. theta energy: -17.921
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 252
Temperature: 1.150000
Total energy: -239.494356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.494356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.494356 (E_RNA)
where:
Base-Base interactions energy: -161.653
where: short stacking energy: -70.018
Base-Backbone interact. energy: -0.212
local terms energy: -77.629506
where:
bonds (distance) C4'-P energy: -11.522
bonds (distance) P-C4' energy: -17.441
flat angles C4'-P-C4' energy: -20.450
flat angles P-C4'-P energy: -13.167
tors. eta vs tors. theta energy: -15.050
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 252
Temperature: 1.200000
Total energy: -203.024424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.024424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.024424 (E_RNA)
where:
Base-Base interactions energy: -127.526
where: short stacking energy: -70.546
Base-Backbone interact. energy: 1.017
local terms energy: -76.514834
where:
bonds (distance) C4'-P energy: -13.783
bonds (distance) P-C4' energy: -17.968
flat angles C4'-P-C4' energy: -18.513
flat angles P-C4'-P energy: -10.809
tors. eta vs tors. theta energy: -15.442
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 252
Temperature: 1.250000
Total energy: -217.962415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.962415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.962415 (E_RNA)
where:
Base-Base interactions energy: -149.026
where: short stacking energy: -71.211
Base-Backbone interact. energy: 0.528
local terms energy: -69.464626
where:
bonds (distance) C4'-P energy: -17.194
bonds (distance) P-C4' energy: -13.581
flat angles C4'-P-C4' energy: -17.069
flat angles P-C4'-P energy: -5.920
tors. eta vs tors. theta energy: -15.700
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 252
Temperature: 1.300000
Total energy: -134.815223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.815223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.815223 (E_RNA)
where:
Base-Base interactions energy: -65.504
where: short stacking energy: -58.665
Base-Backbone interact. energy: -0.020
local terms energy: -69.290719
where:
bonds (distance) C4'-P energy: -15.196
bonds (distance) P-C4' energy: -16.924
flat angles C4'-P-C4' energy: -18.223
flat angles P-C4'-P energy: -5.773
tors. eta vs tors. theta energy: -13.176
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 252
Temperature: 1.350000
Total energy: -98.762078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.762078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.762078 (E_RNA)
where:
Base-Base interactions energy: -38.320
where: short stacking energy: -32.504
Base-Backbone interact. energy: -0.225
local terms energy: -60.216832
where:
bonds (distance) C4'-P energy: -16.536
bonds (distance) P-C4' energy: -19.774
flat angles C4'-P-C4' energy: -12.438
flat angles P-C4'-P energy: -6.992
tors. eta vs tors. theta energy: -4.478
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 253
Temperature: 0.900000
Total energy: -307.857466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.857466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.857466 (E_RNA)
where:
Base-Base interactions energy: -209.301
where: short stacking energy: -93.510
Base-Backbone interact. energy: -0.251
local terms energy: -98.305743
where:
bonds (distance) C4'-P energy: -21.098
bonds (distance) P-C4' energy: -18.941
flat angles C4'-P-C4' energy: -22.036
flat angles P-C4'-P energy: -14.702
tors. eta vs tors. theta energy: -21.528
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 253
Temperature: 0.950000
Total energy: -341.471541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.471541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.471541 (E_RNA)
where:
Base-Base interactions energy: -234.743
where: short stacking energy: -93.002
Base-Backbone interact. energy: -0.510
local terms energy: -106.218141
where:
bonds (distance) C4'-P energy: -20.415
bonds (distance) P-C4' energy: -21.051
flat angles C4'-P-C4' energy: -20.695
flat angles P-C4'-P energy: -17.698
tors. eta vs tors. theta energy: -26.360
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 253
Temperature: 1.000000
Total energy: -290.291353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.291353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.291353 (E_RNA)
where:
Base-Base interactions energy: -197.833
where: short stacking energy: -86.310
Base-Backbone interact. energy: 0.505
local terms energy: -92.963010
where:
bonds (distance) C4'-P energy: -17.878
bonds (distance) P-C4' energy: -17.581
flat angles C4'-P-C4' energy: -19.785
flat angles P-C4'-P energy: -15.983
tors. eta vs tors. theta energy: -21.736
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 253
Temperature: 1.050000
Total energy: -260.233421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.233421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.233421 (E_RNA)
where:
Base-Base interactions energy: -173.732
where: short stacking energy: -73.408
Base-Backbone interact. energy: -0.686
local terms energy: -85.815827
where:
bonds (distance) C4'-P energy: -10.356
bonds (distance) P-C4' energy: -20.391
flat angles C4'-P-C4' energy: -21.886
flat angles P-C4'-P energy: -15.845
tors. eta vs tors. theta energy: -17.339
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 253
Temperature: 1.100000
Total energy: -261.557344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.557344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.557344 (E_RNA)
where:
Base-Base interactions energy: -170.880
where: short stacking energy: -73.387
Base-Backbone interact. energy: -0.730
local terms energy: -89.947303
where:
bonds (distance) C4'-P energy: -17.207
bonds (distance) P-C4' energy: -20.653
flat angles C4'-P-C4' energy: -17.750
flat angles P-C4'-P energy: -12.522
tors. eta vs tors. theta energy: -21.816
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 253
Temperature: 1.150000
Total energy: -240.752582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.752582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.752582 (E_RNA)
where:
Base-Base interactions energy: -160.243
where: short stacking energy: -69.870
Base-Backbone interact. energy: -0.018
local terms energy: -80.491385
where:
bonds (distance) C4'-P energy: -11.481
bonds (distance) P-C4' energy: -20.553
flat angles C4'-P-C4' energy: -21.050
flat angles P-C4'-P energy: -10.526
tors. eta vs tors. theta energy: -16.882
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 253
Temperature: 1.200000
Total energy: -204.052692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.052692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.052692 (E_RNA)
where:
Base-Base interactions energy: -122.452
where: short stacking energy: -70.868
Base-Backbone interact. energy: 0.206
local terms energy: -81.807319
where:
bonds (distance) C4'-P energy: -15.534
bonds (distance) P-C4' energy: -17.346
flat angles C4'-P-C4' energy: -18.060
flat angles P-C4'-P energy: -14.122
tors. eta vs tors. theta energy: -16.745
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 253
Temperature: 1.250000
Total energy: -155.967598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.967598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.967598 (E_RNA)
where:
Base-Base interactions energy: -92.948
where: short stacking energy: -44.504
Base-Backbone interact. energy: -0.536
local terms energy: -62.483106
where:
bonds (distance) C4'-P energy: -15.129
bonds (distance) P-C4' energy: -18.203
flat angles C4'-P-C4' energy: -16.406
flat angles P-C4'-P energy: -13.126
tors. eta vs tors. theta energy: 0.380
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 253
Temperature: 1.300000
Total energy: -163.833813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.833813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.833813 (E_RNA)
where:
Base-Base interactions energy: -97.855
where: short stacking energy: -44.430
Base-Backbone interact. energy: 0.279
local terms energy: -66.258112
where:
bonds (distance) C4'-P energy: -21.297
bonds (distance) P-C4' energy: -17.971
flat angles C4'-P-C4' energy: -11.732
flat angles P-C4'-P energy: -11.713
tors. eta vs tors. theta energy: -3.545
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 253
Temperature: 1.350000
Total energy: -99.195208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.195208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.195208 (E_RNA)
where:
Base-Base interactions energy: -39.239
where: short stacking energy: -38.666
Base-Backbone interact. energy: -0.093
local terms energy: -59.863526
where:
bonds (distance) C4'-P energy: -16.135
bonds (distance) P-C4' energy: -17.044
flat angles C4'-P-C4' energy: -15.090
flat angles P-C4'-P energy: -10.567
tors. eta vs tors. theta energy: -1.028
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 254
Temperature: 0.900000
Total energy: -340.748676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.748676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.748676 (E_RNA)
where:
Base-Base interactions energy: -239.144
where: short stacking energy: -101.831
Base-Backbone interact. energy: -0.497
local terms energy: -101.107052
where:
bonds (distance) C4'-P energy: -18.299
bonds (distance) P-C4' energy: -20.982
flat angles C4'-P-C4' energy: -19.014
flat angles P-C4'-P energy: -15.247
tors. eta vs tors. theta energy: -27.565
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 254
Temperature: 0.950000
Total energy: -297.831607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.831607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.831607 (E_RNA)
where:
Base-Base interactions energy: -210.434
where: short stacking energy: -100.492
Base-Backbone interact. energy: -0.783
local terms energy: -86.614203
where:
bonds (distance) C4'-P energy: -15.020
bonds (distance) P-C4' energy: -16.230
flat angles C4'-P-C4' energy: -19.738
flat angles P-C4'-P energy: -12.608
tors. eta vs tors. theta energy: -23.019
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 254
Temperature: 1.000000
Total energy: -282.690211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.690211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.690211 (E_RNA)
where:
Base-Base interactions energy: -188.607
where: short stacking energy: -77.424
Base-Backbone interact. energy: -0.245
local terms energy: -93.837460
where:
bonds (distance) C4'-P energy: -15.458
bonds (distance) P-C4' energy: -18.114
flat angles C4'-P-C4' energy: -20.537
flat angles P-C4'-P energy: -16.368
tors. eta vs tors. theta energy: -23.360
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 254
Temperature: 1.050000
Total energy: -277.597890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.597890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.597890 (E_RNA)
where:
Base-Base interactions energy: -194.063
where: short stacking energy: -77.644
Base-Backbone interact. energy: -0.129
local terms energy: -83.406073
where:
bonds (distance) C4'-P energy: -15.397
bonds (distance) P-C4' energy: -15.484
flat angles C4'-P-C4' energy: -19.174
flat angles P-C4'-P energy: -12.893
tors. eta vs tors. theta energy: -20.457
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 254
Temperature: 1.100000
Total energy: -260.871272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.871272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.871272 (E_RNA)
where:
Base-Base interactions energy: -174.575
where: short stacking energy: -88.405
Base-Backbone interact. energy: -0.762
local terms energy: -85.533693
where:
bonds (distance) C4'-P energy: -11.559
bonds (distance) P-C4' energy: -21.369
flat angles C4'-P-C4' energy: -22.078
flat angles P-C4'-P energy: -10.250
tors. eta vs tors. theta energy: -20.278
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 254
Temperature: 1.150000
Total energy: -251.453938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.453938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.453938 (E_RNA)
where:
Base-Base interactions energy: -170.107
where: short stacking energy: -73.979
Base-Backbone interact. energy: 0.085
local terms energy: -81.431747
where:
bonds (distance) C4'-P energy: -17.848
bonds (distance) P-C4' energy: -12.240
flat angles C4'-P-C4' energy: -20.062
flat angles P-C4'-P energy: -17.641
tors. eta vs tors. theta energy: -13.641
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 254
Temperature: 1.200000
Total energy: -199.470805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.470805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.470805 (E_RNA)
where:
Base-Base interactions energy: -120.110
where: short stacking energy: -65.711
Base-Backbone interact. energy: -0.151
local terms energy: -79.210061
where:
bonds (distance) C4'-P energy: -15.435
bonds (distance) P-C4' energy: -17.538
flat angles C4'-P-C4' energy: -17.592
flat angles P-C4'-P energy: -14.063
tors. eta vs tors. theta energy: -14.581
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 254
Temperature: 1.250000
Total energy: -156.705893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.705893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.705893 (E_RNA)
where:
Base-Base interactions energy: -87.454
where: short stacking energy: -48.621
Base-Backbone interact. energy: 1.687
local terms energy: -70.939821
where:
bonds (distance) C4'-P energy: -19.449
bonds (distance) P-C4' energy: -18.604
flat angles C4'-P-C4' energy: -12.213
flat angles P-C4'-P energy: -13.639
tors. eta vs tors. theta energy: -7.034
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 254
Temperature: 1.300000
Total energy: -178.577300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.577300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.577300 (E_RNA)
where:
Base-Base interactions energy: -110.123
where: short stacking energy: -59.160
Base-Backbone interact. energy: -0.133
local terms energy: -68.321609
where:
bonds (distance) C4'-P energy: -14.101
bonds (distance) P-C4' energy: -16.563
flat angles C4'-P-C4' energy: -18.136
flat angles P-C4'-P energy: -7.209
tors. eta vs tors. theta energy: -12.313
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 254
Temperature: 1.350000
Total energy: -115.212573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.212573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.212573 (E_RNA)
where:
Base-Base interactions energy: -59.849
where: short stacking energy: -44.526
Base-Backbone interact. energy: -0.074
local terms energy: -55.289573
where:
bonds (distance) C4'-P energy: -5.669
bonds (distance) P-C4' energy: -18.189
flat angles C4'-P-C4' energy: -15.362
flat angles P-C4'-P energy: -9.630
tors. eta vs tors. theta energy: -6.439
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 255
Temperature: 0.900000
Total energy: -331.250104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.250104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.250104 (E_RNA)
where:
Base-Base interactions energy: -230.032
where: short stacking energy: -95.591
Base-Backbone interact. energy: -0.965
local terms energy: -100.252789
where:
bonds (distance) C4'-P energy: -21.442
bonds (distance) P-C4' energy: -20.609
flat angles C4'-P-C4' energy: -19.477
flat angles P-C4'-P energy: -13.625
tors. eta vs tors. theta energy: -25.100
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 255
Temperature: 0.950000
Total energy: -309.683337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.683337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.683337 (E_RNA)
where:
Base-Base interactions energy: -207.429
where: short stacking energy: -101.060
Base-Backbone interact. energy: 0.070
local terms energy: -102.324372
where:
bonds (distance) C4'-P energy: -20.563
bonds (distance) P-C4' energy: -21.710
flat angles C4'-P-C4' energy: -19.994
flat angles P-C4'-P energy: -12.848
tors. eta vs tors. theta energy: -27.209
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 255
Temperature: 1.000000
Total energy: -269.214918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.214918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.214918 (E_RNA)
where:
Base-Base interactions energy: -177.332
where: short stacking energy: -82.242
Base-Backbone interact. energy: -0.089
local terms energy: -91.793780
where:
bonds (distance) C4'-P energy: -17.009
bonds (distance) P-C4' energy: -16.999
flat angles C4'-P-C4' energy: -19.155
flat angles P-C4'-P energy: -13.250
tors. eta vs tors. theta energy: -25.381
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 255
Temperature: 1.050000
Total energy: -257.461907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.461907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.461907 (E_RNA)
where:
Base-Base interactions energy: -174.173
where: short stacking energy: -70.137
Base-Backbone interact. energy: -0.136
local terms energy: -83.152699
where:
bonds (distance) C4'-P energy: -16.648
bonds (distance) P-C4' energy: -21.324
flat angles C4'-P-C4' energy: -19.392
flat angles P-C4'-P energy: -10.295
tors. eta vs tors. theta energy: -15.493
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 255
Temperature: 1.100000
Total energy: -259.618754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.618754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.618754 (E_RNA)
where:
Base-Base interactions energy: -179.082
where: short stacking energy: -80.192
Base-Backbone interact. energy: -0.387
local terms energy: -80.149980
where:
bonds (distance) C4'-P energy: -17.402
bonds (distance) P-C4' energy: -16.982
flat angles C4'-P-C4' energy: -18.214
flat angles P-C4'-P energy: -9.134
tors. eta vs tors. theta energy: -18.418
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 255
Temperature: 1.150000
Total energy: -250.999786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.999786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.999786 (E_RNA)
where:
Base-Base interactions energy: -178.744
where: short stacking energy: -87.153
Base-Backbone interact. energy: -0.160
local terms energy: -72.096187
where:
bonds (distance) C4'-P energy: -15.324
bonds (distance) P-C4' energy: -11.073
flat angles C4'-P-C4' energy: -17.330
flat angles P-C4'-P energy: -8.340
tors. eta vs tors. theta energy: -20.029
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 255
Temperature: 1.200000
Total energy: -191.259751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.259751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.259751 (E_RNA)
where:
Base-Base interactions energy: -112.251
where: short stacking energy: -57.436
Base-Backbone interact. energy: 0.151
local terms energy: -79.159745
where:
bonds (distance) C4'-P energy: -19.744
bonds (distance) P-C4' energy: -17.092
flat angles C4'-P-C4' energy: -20.701
flat angles P-C4'-P energy: -8.716
tors. eta vs tors. theta energy: -12.908
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 255
Temperature: 1.250000
Total energy: -191.510977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.510977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.510977 (E_RNA)
where:
Base-Base interactions energy: -119.192
where: short stacking energy: -69.292
Base-Backbone interact. energy: -0.024
local terms energy: -72.294647
where:
bonds (distance) C4'-P energy: -17.831
bonds (distance) P-C4' energy: -15.028
flat angles C4'-P-C4' energy: -16.975
flat angles P-C4'-P energy: -10.166
tors. eta vs tors. theta energy: -12.295
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 255
Temperature: 1.300000
Total energy: -131.989740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.989740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.989740 (E_RNA)
where:
Base-Base interactions energy: -68.135
where: short stacking energy: -41.649
Base-Backbone interact. energy: -0.118
local terms energy: -63.737033
where:
bonds (distance) C4'-P energy: -20.078
bonds (distance) P-C4' energy: -16.353
flat angles C4'-P-C4' energy: -15.838
flat angles P-C4'-P energy: -9.483
tors. eta vs tors. theta energy: -1.985
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 255
Temperature: 1.350000
Total energy: -90.394229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.394229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.394229 (E_RNA)
where:
Base-Base interactions energy: -30.685
where: short stacking energy: -25.384
Base-Backbone interact. energy: 1.573
local terms energy: -61.281956
where:
bonds (distance) C4'-P energy: -19.914
bonds (distance) P-C4' energy: -17.023
flat angles C4'-P-C4' energy: -12.901
flat angles P-C4'-P energy: -10.131
tors. eta vs tors. theta energy: -1.314
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 256
Temperature: 0.900000
Total energy: -338.230055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.230055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.230055 (E_RNA)
where:
Base-Base interactions energy: -240.246
where: short stacking energy: -95.754
Base-Backbone interact. energy: -0.603
local terms energy: -97.380989
where:
bonds (distance) C4'-P energy: -17.154
bonds (distance) P-C4' energy: -20.048
flat angles C4'-P-C4' energy: -18.099
flat angles P-C4'-P energy: -15.558
tors. eta vs tors. theta energy: -26.522
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 256
Temperature: 0.950000
Total energy: -311.315754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.315754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.315754 (E_RNA)
where:
Base-Base interactions energy: -209.367
where: short stacking energy: -98.882
Base-Backbone interact. energy: -0.680
local terms energy: -101.268769
where:
bonds (distance) C4'-P energy: -20.201
bonds (distance) P-C4' energy: -19.412
flat angles C4'-P-C4' energy: -22.822
flat angles P-C4'-P energy: -11.020
tors. eta vs tors. theta energy: -27.814
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 256
Temperature: 1.000000
Total energy: -272.324445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.324445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.324445 (E_RNA)
where:
Base-Base interactions energy: -180.846
where: short stacking energy: -88.012
Base-Backbone interact. energy: -0.014
local terms energy: -91.464233
where:
bonds (distance) C4'-P energy: -15.138
bonds (distance) P-C4' energy: -20.815
flat angles C4'-P-C4' energy: -18.568
flat angles P-C4'-P energy: -15.178
tors. eta vs tors. theta energy: -21.766
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 256
Temperature: 1.050000
Total energy: -262.480216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.480216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.480216 (E_RNA)
where:
Base-Base interactions energy: -168.780
where: short stacking energy: -71.669
Base-Backbone interact. energy: -0.600
local terms energy: -93.100031
where:
bonds (distance) C4'-P energy: -19.501
bonds (distance) P-C4' energy: -23.752
flat angles C4'-P-C4' energy: -19.281
flat angles P-C4'-P energy: -11.842
tors. eta vs tors. theta energy: -18.724
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 256
Temperature: 1.100000
Total energy: -270.072104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.072104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.072104 (E_RNA)
where:
Base-Base interactions energy: -175.536
where: short stacking energy: -80.017
Base-Backbone interact. energy: -0.344
local terms energy: -94.192637
where:
bonds (distance) C4'-P energy: -18.928
bonds (distance) P-C4' energy: -18.841
flat angles C4'-P-C4' energy: -17.367
flat angles P-C4'-P energy: -12.246
tors. eta vs tors. theta energy: -26.811
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 256
Temperature: 1.150000
Total energy: -253.427334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.427334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.427334 (E_RNA)
where:
Base-Base interactions energy: -160.558
where: short stacking energy: -84.486
Base-Backbone interact. energy: -0.366
local terms energy: -92.503257
where:
bonds (distance) C4'-P energy: -19.949
bonds (distance) P-C4' energy: -21.722
flat angles C4'-P-C4' energy: -19.131
flat angles P-C4'-P energy: -10.841
tors. eta vs tors. theta energy: -20.860
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 256
Temperature: 1.200000
Total energy: -190.876002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.876002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.876002 (E_RNA)
where:
Base-Base interactions energy: -114.473
where: short stacking energy: -62.570
Base-Backbone interact. energy: -0.144
local terms energy: -76.258997
where:
bonds (distance) C4'-P energy: -14.521
bonds (distance) P-C4' energy: -20.986
flat angles C4'-P-C4' energy: -12.708
flat angles P-C4'-P energy: -13.658
tors. eta vs tors. theta energy: -14.386
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 256
Temperature: 1.250000
Total energy: -196.193670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.193670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.193670 (E_RNA)
where:
Base-Base interactions energy: -120.182
where: short stacking energy: -63.206
Base-Backbone interact. energy: -0.304
local terms energy: -75.707505
where:
bonds (distance) C4'-P energy: -16.465
bonds (distance) P-C4' energy: -18.233
flat angles C4'-P-C4' energy: -17.014
flat angles P-C4'-P energy: -11.100
tors. eta vs tors. theta energy: -12.895
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 256
Temperature: 1.300000
Total energy: -99.709120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.709120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.709120 (E_RNA)
where:
Base-Base interactions energy: -39.010
where: short stacking energy: -38.991
Base-Backbone interact. energy: -0.103
local terms energy: -60.596150
where:
bonds (distance) C4'-P energy: -10.049
bonds (distance) P-C4' energy: -16.413
flat angles C4'-P-C4' energy: -16.792
flat angles P-C4'-P energy: -11.077
tors. eta vs tors. theta energy: -6.265
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 256
Temperature: 1.350000
Total energy: -151.216799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.216799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.216799 (E_RNA)
where:
Base-Base interactions energy: -87.299
where: short stacking energy: -48.045
Base-Backbone interact. energy: -0.062
local terms energy: -63.855358
where:
bonds (distance) C4'-P energy: -14.102
bonds (distance) P-C4' energy: -14.604
flat angles C4'-P-C4' energy: -15.371
flat angles P-C4'-P energy: -10.012
tors. eta vs tors. theta energy: -9.767
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 257
Temperature: 0.900000
Total energy: -339.347838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.347838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.347838 (E_RNA)
where:
Base-Base interactions energy: -242.553
where: short stacking energy: -97.542
Base-Backbone interact. energy: 0.523
local terms energy: -97.317236
where:
bonds (distance) C4'-P energy: -14.711
bonds (distance) P-C4' energy: -22.121
flat angles C4'-P-C4' energy: -19.662
flat angles P-C4'-P energy: -11.722
tors. eta vs tors. theta energy: -29.101
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 257
Temperature: 0.950000
Total energy: -306.351959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.351959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.351959 (E_RNA)
where:
Base-Base interactions energy: -208.497
where: short stacking energy: -87.582
Base-Backbone interact. energy: -0.239
local terms energy: -97.615823
where:
bonds (distance) C4'-P energy: -18.920
bonds (distance) P-C4' energy: -16.980
flat angles C4'-P-C4' energy: -22.006
flat angles P-C4'-P energy: -12.184
tors. eta vs tors. theta energy: -27.527
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 257
Temperature: 1.000000
Total energy: -268.283889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.283889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.283889 (E_RNA)
where:
Base-Base interactions energy: -178.205
where: short stacking energy: -78.167
Base-Backbone interact. energy: -0.858
local terms energy: -89.220654
where:
bonds (distance) C4'-P energy: -16.756
bonds (distance) P-C4' energy: -20.943
flat angles C4'-P-C4' energy: -18.821
flat angles P-C4'-P energy: -13.344
tors. eta vs tors. theta energy: -19.356
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 257
Temperature: 1.050000
Total energy: -275.339526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.339526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.339526 (E_RNA)
where:
Base-Base interactions energy: -186.301
where: short stacking energy: -80.108
Base-Backbone interact. energy: -0.580
local terms energy: -88.458436
where:
bonds (distance) C4'-P energy: -21.193
bonds (distance) P-C4' energy: -18.469
flat angles C4'-P-C4' energy: -16.602
flat angles P-C4'-P energy: -13.240
tors. eta vs tors. theta energy: -18.954
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 257
Temperature: 1.100000
Total energy: -252.730192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.730192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.730192 (E_RNA)
where:
Base-Base interactions energy: -170.541
where: short stacking energy: -71.405
Base-Backbone interact. energy: -0.160
local terms energy: -82.028868
where:
bonds (distance) C4'-P energy: -14.379
bonds (distance) P-C4' energy: -17.666
flat angles C4'-P-C4' energy: -15.950
flat angles P-C4'-P energy: -15.267
tors. eta vs tors. theta energy: -18.766
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 257
Temperature: 1.150000
Total energy: -241.225532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.225532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.225532 (E_RNA)
where:
Base-Base interactions energy: -157.098
where: short stacking energy: -79.866
Base-Backbone interact. energy: -0.459
local terms energy: -83.668582
where:
bonds (distance) C4'-P energy: -19.922
bonds (distance) P-C4' energy: -15.617
flat angles C4'-P-C4' energy: -16.559
flat angles P-C4'-P energy: -11.058
tors. eta vs tors. theta energy: -20.512
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 257
Temperature: 1.200000
Total energy: -234.962638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.962638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.962638 (E_RNA)
where:
Base-Base interactions energy: -155.635
where: short stacking energy: -80.536
Base-Backbone interact. energy: -0.702
local terms energy: -78.625275
where:
bonds (distance) C4'-P energy: -20.176
bonds (distance) P-C4' energy: -12.401
flat angles C4'-P-C4' energy: -15.571
flat angles P-C4'-P energy: -11.850
tors. eta vs tors. theta energy: -18.627
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 257
Temperature: 1.250000
Total energy: -192.039520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.039520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.039520 (E_RNA)
where:
Base-Base interactions energy: -117.540
where: short stacking energy: -59.470
Base-Backbone interact. energy: 0.105
local terms energy: -74.604538
where:
bonds (distance) C4'-P energy: -16.334
bonds (distance) P-C4' energy: -16.478
flat angles C4'-P-C4' energy: -12.412
flat angles P-C4'-P energy: -16.696
tors. eta vs tors. theta energy: -12.684
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 257
Temperature: 1.300000
Total energy: -103.499738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.499738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.499738 (E_RNA)
where:
Base-Base interactions energy: -38.069
where: short stacking energy: -37.246
Base-Backbone interact. energy: -0.378
local terms energy: -65.052349
where:
bonds (distance) C4'-P energy: -18.282
bonds (distance) P-C4' energy: -20.772
flat angles C4'-P-C4' energy: -15.977
flat angles P-C4'-P energy: -9.796
tors. eta vs tors. theta energy: -0.226
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 257
Temperature: 1.350000
Total energy: -148.091563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.091563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.091563 (E_RNA)
where:
Base-Base interactions energy: -83.928
where: short stacking energy: -40.095
Base-Backbone interact. energy: -0.015
local terms energy: -64.148860
where:
bonds (distance) C4'-P energy: -19.811
bonds (distance) P-C4' energy: -18.777
flat angles C4'-P-C4' energy: -11.920
flat angles P-C4'-P energy: -10.109
tors. eta vs tors. theta energy: -3.532
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 258
Temperature: 0.900000
Total energy: -338.940953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.940953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.940953 (E_RNA)
where:
Base-Base interactions energy: -231.062
where: short stacking energy: -97.631
Base-Backbone interact. energy: -0.851
local terms energy: -107.027927
where:
bonds (distance) C4'-P energy: -22.579
bonds (distance) P-C4' energy: -22.044
flat angles C4'-P-C4' energy: -18.519
flat angles P-C4'-P energy: -16.937
tors. eta vs tors. theta energy: -26.949
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 258
Temperature: 0.950000
Total energy: -311.051761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.051761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.051761 (E_RNA)
where:
Base-Base interactions energy: -219.562
where: short stacking energy: -100.931
Base-Backbone interact. energy: -0.428
local terms energy: -91.061376
where:
bonds (distance) C4'-P energy: -17.036
bonds (distance) P-C4' energy: -13.972
flat angles C4'-P-C4' energy: -22.821
flat angles P-C4'-P energy: -12.254
tors. eta vs tors. theta energy: -24.978
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 258
Temperature: 1.000000
Total energy: -300.304574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.304574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.304574 (E_RNA)
where:
Base-Base interactions energy: -200.189
where: short stacking energy: -93.577
Base-Backbone interact. energy: -2.164
local terms energy: -97.951942
where:
bonds (distance) C4'-P energy: -17.407
bonds (distance) P-C4' energy: -19.738
flat angles C4'-P-C4' energy: -21.268
flat angles P-C4'-P energy: -14.096
tors. eta vs tors. theta energy: -25.443
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 258
Temperature: 1.050000
Total energy: -275.729278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.729278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.729278 (E_RNA)
where:
Base-Base interactions energy: -177.918
where: short stacking energy: -85.147
Base-Backbone interact. energy: -0.338
local terms energy: -97.473313
where:
bonds (distance) C4'-P energy: -20.767
bonds (distance) P-C4' energy: -20.775
flat angles C4'-P-C4' energy: -20.873
flat angles P-C4'-P energy: -11.802
tors. eta vs tors. theta energy: -23.256
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 258
Temperature: 1.100000
Total energy: -245.370840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.370840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.370840 (E_RNA)
where:
Base-Base interactions energy: -166.080
where: short stacking energy: -74.595
Base-Backbone interact. energy: -0.582
local terms energy: -78.708845
where:
bonds (distance) C4'-P energy: -17.943
bonds (distance) P-C4' energy: -18.676
flat angles C4'-P-C4' energy: -13.560
flat angles P-C4'-P energy: -13.045
tors. eta vs tors. theta energy: -15.485
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 258
Temperature: 1.150000
Total energy: -236.979886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.979886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.979886 (E_RNA)
where:
Base-Base interactions energy: -153.718
where: short stacking energy: -75.665
Base-Backbone interact. energy: -0.228
local terms energy: -83.033684
where:
bonds (distance) C4'-P energy: -18.903
bonds (distance) P-C4' energy: -18.280
flat angles C4'-P-C4' energy: -19.480
flat angles P-C4'-P energy: -7.132
tors. eta vs tors. theta energy: -19.239
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 258
Temperature: 1.200000
Total energy: -232.852768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.852768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.852768 (E_RNA)
where:
Base-Base interactions energy: -144.613
where: short stacking energy: -73.274
Base-Backbone interact. energy: -0.035
local terms energy: -88.205132
where:
bonds (distance) C4'-P energy: -17.241
bonds (distance) P-C4' energy: -18.443
flat angles C4'-P-C4' energy: -18.365
flat angles P-C4'-P energy: -11.116
tors. eta vs tors. theta energy: -23.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 258
Temperature: 1.250000
Total energy: -191.001119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.001119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.001119 (E_RNA)
where:
Base-Base interactions energy: -113.626
where: short stacking energy: -68.747
Base-Backbone interact. energy: -0.048
local terms energy: -77.326829
where:
bonds (distance) C4'-P energy: -16.159
bonds (distance) P-C4' energy: -18.346
flat angles C4'-P-C4' energy: -18.067
flat angles P-C4'-P energy: -15.268
tors. eta vs tors. theta energy: -9.487
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 258
Temperature: 1.300000
Total energy: -110.283833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.283833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.283833 (E_RNA)
where:
Base-Base interactions energy: -54.310
where: short stacking energy: -37.016
Base-Backbone interact. energy: -0.312
local terms energy: -55.661528
where:
bonds (distance) C4'-P energy: -10.763
bonds (distance) P-C4' energy: -21.035
flat angles C4'-P-C4' energy: -13.080
flat angles P-C4'-P energy: -9.331
tors. eta vs tors. theta energy: -1.452
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 258
Temperature: 1.350000
Total energy: -103.569499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.569499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.569499 (E_RNA)
where:
Base-Base interactions energy: -43.331
where: short stacking energy: -36.057
Base-Backbone interact. energy: -0.773
local terms energy: -59.465517
where:
bonds (distance) C4'-P energy: -15.835
bonds (distance) P-C4' energy: -20.767
flat angles C4'-P-C4' energy: -9.896
flat angles P-C4'-P energy: -9.787
tors. eta vs tors. theta energy: -3.180
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 259
Temperature: 0.900000
Total energy: -340.183792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.183792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.183792 (E_RNA)
where:
Base-Base interactions energy: -239.367
where: short stacking energy: -93.234
Base-Backbone interact. energy: -0.523
local terms energy: -100.293688
where:
bonds (distance) C4'-P energy: -20.952
bonds (distance) P-C4' energy: -21.309
flat angles C4'-P-C4' energy: -21.406
flat angles P-C4'-P energy: -11.669
tors. eta vs tors. theta energy: -24.957
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 259
Temperature: 0.950000
Total energy: -302.521299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.521299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.521299 (E_RNA)
where:
Base-Base interactions energy: -203.963
where: short stacking energy: -106.667
Base-Backbone interact. energy: -1.143
local terms energy: -97.415270
where:
bonds (distance) C4'-P energy: -14.516
bonds (distance) P-C4' energy: -19.949
flat angles C4'-P-C4' energy: -19.768
flat angles P-C4'-P energy: -13.540
tors. eta vs tors. theta energy: -29.641
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 259
Temperature: 1.000000
Total energy: -291.892039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.892039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.892039 (E_RNA)
where:
Base-Base interactions energy: -203.612
where: short stacking energy: -82.131
Base-Backbone interact. energy: -0.288
local terms energy: -87.991603
where:
bonds (distance) C4'-P energy: -16.448
bonds (distance) P-C4' energy: -19.847
flat angles C4'-P-C4' energy: -17.381
flat angles P-C4'-P energy: -15.492
tors. eta vs tors. theta energy: -18.824
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 259
Temperature: 1.050000
Total energy: -259.565715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.565715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.565715 (E_RNA)
where:
Base-Base interactions energy: -171.974
where: short stacking energy: -77.375
Base-Backbone interact. energy: -0.914
local terms energy: -86.677966
where:
bonds (distance) C4'-P energy: -18.059
bonds (distance) P-C4' energy: -19.002
flat angles C4'-P-C4' energy: -15.286
flat angles P-C4'-P energy: -15.875
tors. eta vs tors. theta energy: -18.455
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 259
Temperature: 1.100000
Total energy: -260.180847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.180847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.180847 (E_RNA)
where:
Base-Base interactions energy: -172.279
where: short stacking energy: -93.700
Base-Backbone interact. energy: -0.012
local terms energy: -87.890316
where:
bonds (distance) C4'-P energy: -14.565
bonds (distance) P-C4' energy: -16.618
flat angles C4'-P-C4' energy: -20.685
flat angles P-C4'-P energy: -13.233
tors. eta vs tors. theta energy: -22.788
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 259
Temperature: 1.150000
Total energy: -236.283324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.283324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.283324 (E_RNA)
where:
Base-Base interactions energy: -148.722
where: short stacking energy: -66.304
Base-Backbone interact. energy: -0.164
local terms energy: -87.397158
where:
bonds (distance) C4'-P energy: -20.689
bonds (distance) P-C4' energy: -20.526
flat angles C4'-P-C4' energy: -18.912
flat angles P-C4'-P energy: -13.798
tors. eta vs tors. theta energy: -13.472
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 259
Temperature: 1.200000
Total energy: -215.667774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.667774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.667774 (E_RNA)
where:
Base-Base interactions energy: -142.867
where: short stacking energy: -68.063
Base-Backbone interact. energy: -0.227
local terms energy: -72.573779
where:
bonds (distance) C4'-P energy: -17.592
bonds (distance) P-C4' energy: -16.543
flat angles C4'-P-C4' energy: -17.564
flat angles P-C4'-P energy: -10.892
tors. eta vs tors. theta energy: -9.983
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 259
Temperature: 1.250000
Total energy: -206.380933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.380933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.380933 (E_RNA)
where:
Base-Base interactions energy: -127.299
where: short stacking energy: -68.635
Base-Backbone interact. energy: 0.390
local terms energy: -79.472357
where:
bonds (distance) C4'-P energy: -19.571
bonds (distance) P-C4' energy: -17.888
flat angles C4'-P-C4' energy: -17.742
flat angles P-C4'-P energy: -6.730
tors. eta vs tors. theta energy: -17.541
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 259
Temperature: 1.300000
Total energy: -108.348541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.348541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.348541 (E_RNA)
where:
Base-Base interactions energy: -43.077
where: short stacking energy: -43.077
Base-Backbone interact. energy: -0.496
local terms energy: -64.775387
where:
bonds (distance) C4'-P energy: -17.974
bonds (distance) P-C4' energy: -20.401
flat angles C4'-P-C4' energy: -12.062
flat angles P-C4'-P energy: -8.367
tors. eta vs tors. theta energy: -5.972
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 259
Temperature: 1.350000
Total energy: -104.040152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.040152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.040152 (E_RNA)
where:
Base-Base interactions energy: -42.928
where: short stacking energy: -41.383
Base-Backbone interact. energy: -0.307
local terms energy: -60.805408
where:
bonds (distance) C4'-P energy: -15.058
bonds (distance) P-C4' energy: -18.584
flat angles C4'-P-C4' energy: -10.281
flat angles P-C4'-P energy: -10.570
tors. eta vs tors. theta energy: -6.312
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 260
Temperature: 0.900000
Total energy: -343.009184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.009184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.009184 (E_RNA)
where:
Base-Base interactions energy: -240.643
where: short stacking energy: -101.090
Base-Backbone interact. energy: -0.694
local terms energy: -101.672036
where:
bonds (distance) C4'-P energy: -21.325
bonds (distance) P-C4' energy: -18.683
flat angles C4'-P-C4' energy: -22.487
flat angles P-C4'-P energy: -10.507
tors. eta vs tors. theta energy: -28.669
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 260
Temperature: 0.950000
Total energy: -306.786520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.786520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.786520 (E_RNA)
where:
Base-Base interactions energy: -205.319
where: short stacking energy: -88.082
Base-Backbone interact. energy: -2.337
local terms energy: -99.130568
where:
bonds (distance) C4'-P energy: -22.352
bonds (distance) P-C4' energy: -23.113
flat angles C4'-P-C4' energy: -16.597
flat angles P-C4'-P energy: -13.631
tors. eta vs tors. theta energy: -23.437
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 260
Temperature: 1.000000
Total energy: -278.044421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.044421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.044421 (E_RNA)
where:
Base-Base interactions energy: -188.391
where: short stacking energy: -84.083
Base-Backbone interact. energy: -0.188
local terms energy: -89.465607
where:
bonds (distance) C4'-P energy: -15.500
bonds (distance) P-C4' energy: -22.120
flat angles C4'-P-C4' energy: -16.107
flat angles P-C4'-P energy: -15.871
tors. eta vs tors. theta energy: -19.868
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 260
Temperature: 1.050000
Total energy: -268.480140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.480140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.480140 (E_RNA)
where:
Base-Base interactions energy: -178.454
where: short stacking energy: -75.998
Base-Backbone interact. energy: -1.367
local terms energy: -88.658983
where:
bonds (distance) C4'-P energy: -18.821
bonds (distance) P-C4' energy: -22.575
flat angles C4'-P-C4' energy: -18.770
flat angles P-C4'-P energy: -12.447
tors. eta vs tors. theta energy: -16.047
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 260
Temperature: 1.100000
Total energy: -247.677584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.677584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.677584 (E_RNA)
where:
Base-Base interactions energy: -169.567
where: short stacking energy: -70.694
Base-Backbone interact. energy: -0.646
local terms energy: -77.464555
where:
bonds (distance) C4'-P energy: -16.380
bonds (distance) P-C4' energy: -17.280
flat angles C4'-P-C4' energy: -15.528
flat angles P-C4'-P energy: -11.874
tors. eta vs tors. theta energy: -16.403
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 260
Temperature: 1.150000
Total energy: -238.648915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.648915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.648915 (E_RNA)
where:
Base-Base interactions energy: -150.496
where: short stacking energy: -71.073
Base-Backbone interact. energy: -0.784
local terms energy: -87.368340
where:
bonds (distance) C4'-P energy: -18.585
bonds (distance) P-C4' energy: -21.760
flat angles C4'-P-C4' energy: -16.359
flat angles P-C4'-P energy: -9.238
tors. eta vs tors. theta energy: -21.426
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 260
Temperature: 1.200000
Total energy: -221.270099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.270099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.270099 (E_RNA)
where:
Base-Base interactions energy: -137.968
where: short stacking energy: -78.902
Base-Backbone interact. energy: -0.147
local terms energy: -83.155077
where:
bonds (distance) C4'-P energy: -15.369
bonds (distance) P-C4' energy: -20.129
flat angles C4'-P-C4' energy: -20.189
flat angles P-C4'-P energy: -5.751
tors. eta vs tors. theta energy: -21.716
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 260
Temperature: 1.250000
Total energy: -182.141570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.141570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.141570 (E_RNA)
where:
Base-Base interactions energy: -110.926
where: short stacking energy: -52.427
Base-Backbone interact. energy: -0.246
local terms energy: -70.969998
where:
bonds (distance) C4'-P energy: -20.191
bonds (distance) P-C4' energy: -12.663
flat angles C4'-P-C4' energy: -19.492
flat angles P-C4'-P energy: -14.546
tors. eta vs tors. theta energy: -4.078
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 260
Temperature: 1.300000
Total energy: -110.381850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.381850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.381850 (E_RNA)
where:
Base-Base interactions energy: -47.115
where: short stacking energy: -46.306
Base-Backbone interact. energy: -0.275
local terms energy: -62.992009
where:
bonds (distance) C4'-P energy: -16.174
bonds (distance) P-C4' energy: -16.263
flat angles C4'-P-C4' energy: -10.891
flat angles P-C4'-P energy: -13.270
tors. eta vs tors. theta energy: -6.393
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 260
Temperature: 1.350000
Total energy: -109.153868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.153868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.153868 (E_RNA)
where:
Base-Base interactions energy: -42.270
where: short stacking energy: -42.270
Base-Backbone interact. energy: -0.083
local terms energy: -66.800709
where:
bonds (distance) C4'-P energy: -18.450
bonds (distance) P-C4' energy: -17.165
flat angles C4'-P-C4' energy: -18.078
flat angles P-C4'-P energy: -4.606
tors. eta vs tors. theta energy: -8.502
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 261
Temperature: 0.900000
Total energy: -347.136591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.136591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.136591 (E_RNA)
where:
Base-Base interactions energy: -245.178
where: short stacking energy: -98.285
Base-Backbone interact. energy: -0.685
local terms energy: -101.274059
where:
bonds (distance) C4'-P energy: -21.355
bonds (distance) P-C4' energy: -17.612
flat angles C4'-P-C4' energy: -20.882
flat angles P-C4'-P energy: -15.750
tors. eta vs tors. theta energy: -25.675
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 261
Temperature: 0.950000
Total energy: -293.393379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.393379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.393379 (E_RNA)
where:
Base-Base interactions energy: -201.851
where: short stacking energy: -92.791
Base-Backbone interact. energy: -1.090
local terms energy: -90.452430
where:
bonds (distance) C4'-P energy: -18.594
bonds (distance) P-C4' energy: -16.292
flat angles C4'-P-C4' energy: -19.150
flat angles P-C4'-P energy: -11.824
tors. eta vs tors. theta energy: -24.592
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 261
Temperature: 1.000000
Total energy: -282.599413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.599413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.599413 (E_RNA)
where:
Base-Base interactions energy: -190.145
where: short stacking energy: -90.540
Base-Backbone interact. energy: -0.613
local terms energy: -91.841389
where:
bonds (distance) C4'-P energy: -17.526
bonds (distance) P-C4' energy: -19.428
flat angles C4'-P-C4' energy: -18.501
flat angles P-C4'-P energy: -14.841
tors. eta vs tors. theta energy: -21.546
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 261
Temperature: 1.050000
Total energy: -283.846488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.846488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.846488 (E_RNA)
where:
Base-Base interactions energy: -195.917
where: short stacking energy: -87.994
Base-Backbone interact. energy: -0.244
local terms energy: -87.685269
where:
bonds (distance) C4'-P energy: -20.398
bonds (distance) P-C4' energy: -19.097
flat angles C4'-P-C4' energy: -13.437
flat angles P-C4'-P energy: -13.808
tors. eta vs tors. theta energy: -20.944
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 261
Temperature: 1.100000
Total energy: -262.112161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.112161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.112161 (E_RNA)
where:
Base-Base interactions energy: -174.519
where: short stacking energy: -79.927
Base-Backbone interact. energy: -0.503
local terms energy: -87.089806
where:
bonds (distance) C4'-P energy: -15.956
bonds (distance) P-C4' energy: -18.349
flat angles C4'-P-C4' energy: -18.208
flat angles P-C4'-P energy: -11.734
tors. eta vs tors. theta energy: -22.843
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 261
Temperature: 1.150000
Total energy: -236.080062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.080062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.080062 (E_RNA)
where:
Base-Base interactions energy: -156.458
where: short stacking energy: -67.813
Base-Backbone interact. energy: -0.612
local terms energy: -79.009386
where:
bonds (distance) C4'-P energy: -17.179
bonds (distance) P-C4' energy: -18.170
flat angles C4'-P-C4' energy: -17.170
flat angles P-C4'-P energy: -14.201
tors. eta vs tors. theta energy: -12.290
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 261
Temperature: 1.200000
Total energy: -212.490730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.490730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.490730 (E_RNA)
where:
Base-Base interactions energy: -130.061
where: short stacking energy: -69.270
Base-Backbone interact. energy: 1.745
local terms energy: -84.174558
where:
bonds (distance) C4'-P energy: -14.167
bonds (distance) P-C4' energy: -18.282
flat angles C4'-P-C4' energy: -19.998
flat angles P-C4'-P energy: -13.183
tors. eta vs tors. theta energy: -18.544
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 261
Temperature: 1.250000
Total energy: -198.844563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.844563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.844563 (E_RNA)
where:
Base-Base interactions energy: -128.396
where: short stacking energy: -60.065
Base-Backbone interact. energy: -0.299
local terms energy: -70.150220
where:
bonds (distance) C4'-P energy: -15.571
bonds (distance) P-C4' energy: -17.037
flat angles C4'-P-C4' energy: -18.625
flat angles P-C4'-P energy: -9.521
tors. eta vs tors. theta energy: -9.396
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 261
Temperature: 1.300000
Total energy: -105.584116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.584116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.584116 (E_RNA)
where:
Base-Base interactions energy: -33.065
where: short stacking energy: -31.502
Base-Backbone interact. energy: -0.570
local terms energy: -71.948383
where:
bonds (distance) C4'-P energy: -18.797
bonds (distance) P-C4' energy: -18.169
flat angles C4'-P-C4' energy: -16.911
flat angles P-C4'-P energy: -12.633
tors. eta vs tors. theta energy: -5.439
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 261
Temperature: 1.350000
Total energy: -119.117832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.117832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.117832 (E_RNA)
where:
Base-Base interactions energy: -44.085
where: short stacking energy: -44.072
Base-Backbone interact. energy: -0.237
local terms energy: -74.796402
where:
bonds (distance) C4'-P energy: -11.727
bonds (distance) P-C4' energy: -20.793
flat angles C4'-P-C4' energy: -18.688
flat angles P-C4'-P energy: -15.041
tors. eta vs tors. theta energy: -8.547
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 262
Temperature: 0.900000
Total energy: -337.005291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.005291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.005291 (E_RNA)
where:
Base-Base interactions energy: -236.864
where: short stacking energy: -98.058
Base-Backbone interact. energy: -0.646
local terms energy: -99.494638
where:
bonds (distance) C4'-P energy: -17.399
bonds (distance) P-C4' energy: -21.976
flat angles C4'-P-C4' energy: -21.068
flat angles P-C4'-P energy: -16.198
tors. eta vs tors. theta energy: -22.854
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 262
Temperature: 0.950000
Total energy: -308.222275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.222275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.222275 (E_RNA)
where:
Base-Base interactions energy: -202.366
where: short stacking energy: -100.898
Base-Backbone interact. energy: 0.746
local terms energy: -106.601835
where:
bonds (distance) C4'-P energy: -20.002
bonds (distance) P-C4' energy: -19.701
flat angles C4'-P-C4' energy: -22.599
flat angles P-C4'-P energy: -16.672
tors. eta vs tors. theta energy: -27.629
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 262
Temperature: 1.000000
Total energy: -283.641197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.641197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.641197 (E_RNA)
where:
Base-Base interactions energy: -191.331
where: short stacking energy: -94.136
Base-Backbone interact. energy: -0.001
local terms energy: -92.309498
where:
bonds (distance) C4'-P energy: -18.006
bonds (distance) P-C4' energy: -21.100
flat angles C4'-P-C4' energy: -20.541
flat angles P-C4'-P energy: -8.466
tors. eta vs tors. theta energy: -24.197
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 262
Temperature: 1.050000
Total energy: -289.997196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.997196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.997196 (E_RNA)
where:
Base-Base interactions energy: -205.489
where: short stacking energy: -87.111
Base-Backbone interact. energy: 1.914
local terms energy: -86.422187
where:
bonds (distance) C4'-P energy: -15.784
bonds (distance) P-C4' energy: -19.444
flat angles C4'-P-C4' energy: -18.998
flat angles P-C4'-P energy: -12.742
tors. eta vs tors. theta energy: -19.454
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 262
Temperature: 1.100000
Total energy: -252.779864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.779864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.779864 (E_RNA)
where:
Base-Base interactions energy: -162.091
where: short stacking energy: -74.533
Base-Backbone interact. energy: -0.437
local terms energy: -90.251861
where:
bonds (distance) C4'-P energy: -14.645
bonds (distance) P-C4' energy: -17.722
flat angles C4'-P-C4' energy: -20.904
flat angles P-C4'-P energy: -15.858
tors. eta vs tors. theta energy: -21.123
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 262
Temperature: 1.150000
Total energy: -252.233164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.233164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.233164 (E_RNA)
where:
Base-Base interactions energy: -168.341
where: short stacking energy: -75.054
Base-Backbone interact. energy: 1.721
local terms energy: -85.613337
where:
bonds (distance) C4'-P energy: -18.705
bonds (distance) P-C4' energy: -21.057
flat angles C4'-P-C4' energy: -18.795
flat angles P-C4'-P energy: -10.602
tors. eta vs tors. theta energy: -16.454
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 262
Temperature: 1.200000
Total energy: -236.418324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.418324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.418324 (E_RNA)
where:
Base-Base interactions energy: -152.343
where: short stacking energy: -74.096
Base-Backbone interact. energy: -0.108
local terms energy: -83.967530
where:
bonds (distance) C4'-P energy: -13.327
bonds (distance) P-C4' energy: -21.231
flat angles C4'-P-C4' energy: -19.584
flat angles P-C4'-P energy: -10.376
tors. eta vs tors. theta energy: -19.449
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 262
Temperature: 1.250000
Total energy: -179.828075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.828075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.828075 (E_RNA)
where:
Base-Base interactions energy: -118.678
where: short stacking energy: -54.714
Base-Backbone interact. energy: -1.094
local terms energy: -60.055727
where:
bonds (distance) C4'-P energy: -15.588
bonds (distance) P-C4' energy: -16.184
flat angles C4'-P-C4' energy: -14.786
flat angles P-C4'-P energy: -7.929
tors. eta vs tors. theta energy: -5.568
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 262
Temperature: 1.300000
Total energy: -108.101452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.101452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.101452 (E_RNA)
where:
Base-Base interactions energy: -48.014
where: short stacking energy: -28.732
Base-Backbone interact. energy: -0.186
local terms energy: -59.901416
where:
bonds (distance) C4'-P energy: -20.838
bonds (distance) P-C4' energy: -17.409
flat angles C4'-P-C4' energy: -16.222
flat angles P-C4'-P energy: -7.365
tors. eta vs tors. theta energy: 1.932
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 262
Temperature: 1.350000
Total energy: -97.436281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.436281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.436281 (E_RNA)
where:
Base-Base interactions energy: -45.352
where: short stacking energy: -29.038
Base-Backbone interact. energy: 0.441
local terms energy: -52.525439
where:
bonds (distance) C4'-P energy: -18.730
bonds (distance) P-C4' energy: -14.071
flat angles C4'-P-C4' energy: -18.227
flat angles P-C4'-P energy: -0.072
tors. eta vs tors. theta energy: -1.425
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 263
Temperature: 0.900000
Total energy: -341.201620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.201620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.201620 (E_RNA)
where:
Base-Base interactions energy: -242.898
where: short stacking energy: -99.019
Base-Backbone interact. energy: -0.453
local terms energy: -97.850219
where:
bonds (distance) C4'-P energy: -17.112
bonds (distance) P-C4' energy: -21.088
flat angles C4'-P-C4' energy: -21.784
flat angles P-C4'-P energy: -14.996
tors. eta vs tors. theta energy: -22.870
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 263
Temperature: 0.950000
Total energy: -306.792785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.792785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.792785 (E_RNA)
where:
Base-Base interactions energy: -209.959
where: short stacking energy: -108.415
Base-Backbone interact. energy: -0.152
local terms energy: -96.682046
where:
bonds (distance) C4'-P energy: -22.046
bonds (distance) P-C4' energy: -18.353
flat angles C4'-P-C4' energy: -19.862
flat angles P-C4'-P energy: -9.284
tors. eta vs tors. theta energy: -27.138
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 263
Temperature: 1.000000
Total energy: -283.133552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.133552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.133552 (E_RNA)
where:
Base-Base interactions energy: -193.067
where: short stacking energy: -86.576
Base-Backbone interact. energy: -0.462
local terms energy: -89.605135
where:
bonds (distance) C4'-P energy: -15.686
bonds (distance) P-C4' energy: -18.364
flat angles C4'-P-C4' energy: -22.438
flat angles P-C4'-P energy: -11.437
tors. eta vs tors. theta energy: -21.680
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 263
Temperature: 1.050000
Total energy: -274.240835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.240835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.240835 (E_RNA)
where:
Base-Base interactions energy: -184.099
where: short stacking energy: -79.007
Base-Backbone interact. energy: -0.033
local terms energy: -90.108792
where:
bonds (distance) C4'-P energy: -19.840
bonds (distance) P-C4' energy: -21.352
flat angles C4'-P-C4' energy: -17.214
flat angles P-C4'-P energy: -12.525
tors. eta vs tors. theta energy: -19.177
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 263
Temperature: 1.100000
Total energy: -270.810330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.810330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.810330 (E_RNA)
where:
Base-Base interactions energy: -190.171
where: short stacking energy: -86.258
Base-Backbone interact. energy: -0.355
local terms energy: -80.284092
where:
bonds (distance) C4'-P energy: -20.474
bonds (distance) P-C4' energy: -19.714
flat angles C4'-P-C4' energy: -13.647
flat angles P-C4'-P energy: -8.786
tors. eta vs tors. theta energy: -17.662
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 263
Temperature: 1.150000
Total energy: -257.887621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.887621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.887621 (E_RNA)
where:
Base-Base interactions energy: -158.128
where: short stacking energy: -89.888
Base-Backbone interact. energy: -0.585
local terms energy: -99.174816
where:
bonds (distance) C4'-P energy: -19.542
bonds (distance) P-C4' energy: -19.036
flat angles C4'-P-C4' energy: -20.535
flat angles P-C4'-P energy: -13.926
tors. eta vs tors. theta energy: -26.137
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 263
Temperature: 1.200000
Total energy: -243.440981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.440981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.440981 (E_RNA)
where:
Base-Base interactions energy: -158.031
where: short stacking energy: -79.274
Base-Backbone interact. energy: -0.206
local terms energy: -85.203938
where:
bonds (distance) C4'-P energy: -16.425
bonds (distance) P-C4' energy: -17.733
flat angles C4'-P-C4' energy: -17.602
flat angles P-C4'-P energy: -13.361
tors. eta vs tors. theta energy: -20.083
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 263
Temperature: 1.250000
Total energy: -181.208201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.208201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.208201 (E_RNA)
where:
Base-Base interactions energy: -113.357
where: short stacking energy: -45.074
Base-Backbone interact. energy: -0.607
local terms energy: -67.244273
where:
bonds (distance) C4'-P energy: -15.918
bonds (distance) P-C4' energy: -15.815
flat angles C4'-P-C4' energy: -13.688
flat angles P-C4'-P energy: -10.811
tors. eta vs tors. theta energy: -11.012
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 263
Temperature: 1.300000
Total energy: -106.453030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.453030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.453030 (E_RNA)
where:
Base-Base interactions energy: -40.718
where: short stacking energy: -29.468
Base-Backbone interact. energy: 0.547
local terms energy: -66.282745
where:
bonds (distance) C4'-P energy: -17.475
bonds (distance) P-C4' energy: -21.071
flat angles C4'-P-C4' energy: -18.115
flat angles P-C4'-P energy: -9.955
tors. eta vs tors. theta energy: 0.334
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 263
Temperature: 1.350000
Total energy: -98.330745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.330745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.330745 (E_RNA)
where:
Base-Base interactions energy: -42.038
where: short stacking energy: -41.423
Base-Backbone interact. energy: -0.115
local terms energy: -56.177451
where:
bonds (distance) C4'-P energy: -13.045
bonds (distance) P-C4' energy: -17.304
flat angles C4'-P-C4' energy: -11.495
flat angles P-C4'-P energy: -8.638
tors. eta vs tors. theta energy: -5.696
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 264
Temperature: 0.900000
Total energy: -303.932451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.932451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.932451 (E_RNA)
where:
Base-Base interactions energy: -195.142
where: short stacking energy: -103.339
Base-Backbone interact. energy: -0.616
local terms energy: -108.174565
where:
bonds (distance) C4'-P energy: -20.893
bonds (distance) P-C4' energy: -21.245
flat angles C4'-P-C4' energy: -21.861
flat angles P-C4'-P energy: -16.411
tors. eta vs tors. theta energy: -27.765
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 264
Temperature: 0.950000
Total energy: -333.828203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.828203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.828203 (E_RNA)
where:
Base-Base interactions energy: -236.410
where: short stacking energy: -91.930
Base-Backbone interact. energy: -0.888
local terms energy: -96.530228
where:
bonds (distance) C4'-P energy: -20.390
bonds (distance) P-C4' energy: -21.584
flat angles C4'-P-C4' energy: -20.961
flat angles P-C4'-P energy: -8.875
tors. eta vs tors. theta energy: -24.720
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 264
Temperature: 1.000000
Total energy: -274.252959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.252959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.252959 (E_RNA)
where:
Base-Base interactions energy: -184.339
where: short stacking energy: -88.627
Base-Backbone interact. energy: -0.459
local terms energy: -89.454980
where:
bonds (distance) C4'-P energy: -16.788
bonds (distance) P-C4' energy: -17.845
flat angles C4'-P-C4' energy: -19.454
flat angles P-C4'-P energy: -10.937
tors. eta vs tors. theta energy: -24.431
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 264
Temperature: 1.050000
Total energy: -282.759612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.759612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.759612 (E_RNA)
where:
Base-Base interactions energy: -194.840
where: short stacking energy: -84.307
Base-Backbone interact. energy: -0.704
local terms energy: -87.215289
where:
bonds (distance) C4'-P energy: -17.829
bonds (distance) P-C4' energy: -20.886
flat angles C4'-P-C4' energy: -20.699
flat angles P-C4'-P energy: -10.415
tors. eta vs tors. theta energy: -17.386
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 264
Temperature: 1.100000
Total energy: -261.405719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.405719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.405719 (E_RNA)
where:
Base-Base interactions energy: -160.745
where: short stacking energy: -92.435
Base-Backbone interact. energy: -0.001
local terms energy: -100.659629
where:
bonds (distance) C4'-P energy: -18.201
bonds (distance) P-C4' energy: -17.555
flat angles C4'-P-C4' energy: -20.197
flat angles P-C4'-P energy: -16.232
tors. eta vs tors. theta energy: -28.474
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 264
Temperature: 1.150000
Total energy: -276.161683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.161683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.161683 (E_RNA)
where:
Base-Base interactions energy: -184.352
where: short stacking energy: -82.325
Base-Backbone interact. energy: -0.008
local terms energy: -91.801426
where:
bonds (distance) C4'-P energy: -19.881
bonds (distance) P-C4' energy: -22.839
flat angles C4'-P-C4' energy: -17.916
flat angles P-C4'-P energy: -8.757
tors. eta vs tors. theta energy: -22.409
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 264
Temperature: 1.200000
Total energy: -222.187667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.187667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.187667 (E_RNA)
where:
Base-Base interactions energy: -142.297
where: short stacking energy: -57.856
Base-Backbone interact. energy: -0.383
local terms energy: -79.506797
where:
bonds (distance) C4'-P energy: -21.939
bonds (distance) P-C4' energy: -19.510
flat angles C4'-P-C4' energy: -18.607
flat angles P-C4'-P energy: -12.743
tors. eta vs tors. theta energy: -6.708
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 264
Temperature: 1.250000
Total energy: -174.501382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.501382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.501382 (E_RNA)
where:
Base-Base interactions energy: -105.842
where: short stacking energy: -44.251
Base-Backbone interact. energy: -0.679
local terms energy: -67.980304
where:
bonds (distance) C4'-P energy: -16.443
bonds (distance) P-C4' energy: -22.648
flat angles C4'-P-C4' energy: -14.536
flat angles P-C4'-P energy: -8.622
tors. eta vs tors. theta energy: -5.732
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 264
Temperature: 1.300000
Total energy: -103.332081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.332081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.332081 (E_RNA)
where:
Base-Base interactions energy: -38.801
where: short stacking energy: -38.801
Base-Backbone interact. energy: 1.022
local terms energy: -65.552742
where:
bonds (distance) C4'-P energy: -18.929
bonds (distance) P-C4' energy: -16.628
flat angles C4'-P-C4' energy: -17.737
flat angles P-C4'-P energy: -9.889
tors. eta vs tors. theta energy: -2.370
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 264
Temperature: 1.350000
Total energy: -94.015096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.015096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.015096 (E_RNA)
where:
Base-Base interactions energy: -36.551
where: short stacking energy: -19.670
Base-Backbone interact. energy: -0.203
local terms energy: -57.261444
where:
bonds (distance) C4'-P energy: -12.830
bonds (distance) P-C4' energy: -16.860
flat angles C4'-P-C4' energy: -17.608
flat angles P-C4'-P energy: -11.187
tors. eta vs tors. theta energy: 1.224
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 265
Temperature: 0.900000
Total energy: -310.280454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.280454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.280454 (E_RNA)
where:
Base-Base interactions energy: -206.161
where: short stacking energy: -97.367
Base-Backbone interact. energy: -0.276
local terms energy: -103.843481
where:
bonds (distance) C4'-P energy: -19.887
bonds (distance) P-C4' energy: -17.902
flat angles C4'-P-C4' energy: -23.205
flat angles P-C4'-P energy: -14.781
tors. eta vs tors. theta energy: -28.069
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 265
Temperature: 0.950000
Total energy: -341.619127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.619127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.619127 (E_RNA)
where:
Base-Base interactions energy: -244.478
where: short stacking energy: -95.498
Base-Backbone interact. energy: -0.331
local terms energy: -96.810333
where:
bonds (distance) C4'-P energy: -15.783
bonds (distance) P-C4' energy: -17.602
flat angles C4'-P-C4' energy: -18.863
flat angles P-C4'-P energy: -15.556
tors. eta vs tors. theta energy: -29.007
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 265
Temperature: 1.000000
Total energy: -277.510682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.510682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.510682 (E_RNA)
where:
Base-Base interactions energy: -192.725
where: short stacking energy: -78.106
Base-Backbone interact. energy: -0.350
local terms energy: -84.435087
where:
bonds (distance) C4'-P energy: -17.127
bonds (distance) P-C4' energy: -19.091
flat angles C4'-P-C4' energy: -16.908
flat angles P-C4'-P energy: -14.237
tors. eta vs tors. theta energy: -17.072
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 265
Temperature: 1.050000
Total energy: -287.424689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.424689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.424689 (E_RNA)
where:
Base-Base interactions energy: -188.011
where: short stacking energy: -87.038
Base-Backbone interact. energy: -0.011
local terms energy: -99.401996
where:
bonds (distance) C4'-P energy: -13.483
bonds (distance) P-C4' energy: -22.533
flat angles C4'-P-C4' energy: -22.805
flat angles P-C4'-P energy: -14.166
tors. eta vs tors. theta energy: -26.414
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 265
Temperature: 1.100000
Total energy: -254.840197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.840197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.840197 (E_RNA)
where:
Base-Base interactions energy: -166.273
where: short stacking energy: -87.823
Base-Backbone interact. energy: -0.370
local terms energy: -88.197862
where:
bonds (distance) C4'-P energy: -16.214
bonds (distance) P-C4' energy: -13.366
flat angles C4'-P-C4' energy: -19.687
flat angles P-C4'-P energy: -14.294
tors. eta vs tors. theta energy: -24.637
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 265
Temperature: 1.150000
Total energy: -271.136922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.136922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.136922 (E_RNA)
where:
Base-Base interactions energy: -182.319
where: short stacking energy: -82.431
Base-Backbone interact. energy: -0.043
local terms energy: -88.774685
where:
bonds (distance) C4'-P energy: -20.048
bonds (distance) P-C4' energy: -18.593
flat angles C4'-P-C4' energy: -17.761
flat angles P-C4'-P energy: -9.545
tors. eta vs tors. theta energy: -22.828
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 265
Temperature: 1.200000
Total energy: -251.553815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.553815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.553815 (E_RNA)
where:
Base-Base interactions energy: -171.365
where: short stacking energy: -81.489
Base-Backbone interact. energy: 1.159
local terms energy: -81.347195
where:
bonds (distance) C4'-P energy: -12.087
bonds (distance) P-C4' energy: -15.618
flat angles C4'-P-C4' energy: -15.541
flat angles P-C4'-P energy: -14.924
tors. eta vs tors. theta energy: -23.178
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 265
Temperature: 1.250000
Total energy: -167.668422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.668422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.668422 (E_RNA)
where:
Base-Base interactions energy: -106.772
where: short stacking energy: -57.005
Base-Backbone interact. energy: -0.357
local terms energy: -60.539831
where:
bonds (distance) C4'-P energy: -12.257
bonds (distance) P-C4' energy: -16.139
flat angles C4'-P-C4' energy: -16.636
flat angles P-C4'-P energy: -10.342
tors. eta vs tors. theta energy: -5.166
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 265
Temperature: 1.300000
Total energy: -107.578928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.578928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.578928 (E_RNA)
where:
Base-Base interactions energy: -49.207
where: short stacking energy: -40.609
Base-Backbone interact. energy: -0.134
local terms energy: -58.237624
where:
bonds (distance) C4'-P energy: -16.049
bonds (distance) P-C4' energy: -17.579
flat angles C4'-P-C4' energy: -13.861
flat angles P-C4'-P energy: -11.642
tors. eta vs tors. theta energy: 0.893
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 265
Temperature: 1.350000
Total energy: -100.781507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.781507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.781507 (E_RNA)
where:
Base-Base interactions energy: -45.092
where: short stacking energy: -43.292
Base-Backbone interact. energy: -0.149
local terms energy: -55.541085
where:
bonds (distance) C4'-P energy: -10.205
bonds (distance) P-C4' energy: -15.501
flat angles C4'-P-C4' energy: -15.701
flat angles P-C4'-P energy: -12.465
tors. eta vs tors. theta energy: -1.670
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 266
Temperature: 0.900000
Total energy: -343.269121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.269121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.269121 (E_RNA)
where:
Base-Base interactions energy: -238.775
where: short stacking energy: -98.231
Base-Backbone interact. energy: 0.285
local terms energy: -104.779705
where:
bonds (distance) C4'-P energy: -19.588
bonds (distance) P-C4' energy: -20.556
flat angles C4'-P-C4' energy: -22.258
flat angles P-C4'-P energy: -16.088
tors. eta vs tors. theta energy: -26.289
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 266
Temperature: 0.950000
Total energy: -307.302460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.302460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.302460 (E_RNA)
where:
Base-Base interactions energy: -204.879
where: short stacking energy: -95.080
Base-Backbone interact. energy: -1.389
local terms energy: -101.034650
where:
bonds (distance) C4'-P energy: -19.935
bonds (distance) P-C4' energy: -19.904
flat angles C4'-P-C4' energy: -18.401
flat angles P-C4'-P energy: -16.068
tors. eta vs tors. theta energy: -26.727
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 266
Temperature: 1.000000
Total energy: -268.427184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.427184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.427184 (E_RNA)
where:
Base-Base interactions energy: -175.190
where: short stacking energy: -94.636
Base-Backbone interact. energy: -0.043
local terms energy: -93.193922
where:
bonds (distance) C4'-P energy: -15.787
bonds (distance) P-C4' energy: -18.082
flat angles C4'-P-C4' energy: -21.689
flat angles P-C4'-P energy: -14.427
tors. eta vs tors. theta energy: -23.210
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 266
Temperature: 1.050000
Total energy: -259.081793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.081793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.081793 (E_RNA)
where:
Base-Base interactions energy: -173.960
where: short stacking energy: -63.744
Base-Backbone interact. energy: -0.256
local terms energy: -84.866064
where:
bonds (distance) C4'-P energy: -19.595
bonds (distance) P-C4' energy: -16.743
flat angles C4'-P-C4' energy: -20.175
flat angles P-C4'-P energy: -15.378
tors. eta vs tors. theta energy: -12.975
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 266
Temperature: 1.100000
Total energy: -270.738270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.738270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.738270 (E_RNA)
where:
Base-Base interactions energy: -171.719
where: short stacking energy: -101.283
Base-Backbone interact. energy: 0.620
local terms energy: -99.639420
where:
bonds (distance) C4'-P energy: -16.883
bonds (distance) P-C4' energy: -18.467
flat angles C4'-P-C4' energy: -18.670
flat angles P-C4'-P energy: -16.057
tors. eta vs tors. theta energy: -29.562
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 266
Temperature: 1.150000
Total energy: -264.261040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.261040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.261040 (E_RNA)
where:
Base-Base interactions energy: -188.537
where: short stacking energy: -85.726
Base-Backbone interact. energy: -0.084
local terms energy: -75.639858
where:
bonds (distance) C4'-P energy: -15.736
bonds (distance) P-C4' energy: -13.017
flat angles C4'-P-C4' energy: -21.312
flat angles P-C4'-P energy: -9.738
tors. eta vs tors. theta energy: -15.836
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 266
Temperature: 1.200000
Total energy: -255.571157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.571157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.571157 (E_RNA)
where:
Base-Base interactions energy: -170.462
where: short stacking energy: -82.276
Base-Backbone interact. energy: -0.573
local terms energy: -84.536245
where:
bonds (distance) C4'-P energy: -16.662
bonds (distance) P-C4' energy: -18.867
flat angles C4'-P-C4' energy: -19.177
flat angles P-C4'-P energy: -7.883
tors. eta vs tors. theta energy: -21.946
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 266
Temperature: 1.250000
Total energy: -192.241716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.241716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.241716 (E_RNA)
where:
Base-Base interactions energy: -123.748
where: short stacking energy: -53.979
Base-Backbone interact. energy: -0.124
local terms energy: -68.369759
where:
bonds (distance) C4'-P energy: -14.806
bonds (distance) P-C4' energy: -18.527
flat angles C4'-P-C4' energy: -14.233
flat angles P-C4'-P energy: -11.282
tors. eta vs tors. theta energy: -9.521
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 266
Temperature: 1.300000
Total energy: -97.064031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.064031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.064031 (E_RNA)
where:
Base-Base interactions energy: -30.871
where: short stacking energy: -28.072
Base-Backbone interact. energy: -0.230
local terms energy: -65.962828
where:
bonds (distance) C4'-P energy: -16.113
bonds (distance) P-C4' energy: -21.447
flat angles C4'-P-C4' energy: -20.252
flat angles P-C4'-P energy: -10.039
tors. eta vs tors. theta energy: 1.888
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 266
Temperature: 1.350000
Total energy: -122.135934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.135934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.135934 (E_RNA)
where:
Base-Base interactions energy: -50.083
where: short stacking energy: -43.932
Base-Backbone interact. energy: 0.008
local terms energy: -72.061546
where:
bonds (distance) C4'-P energy: -18.619
bonds (distance) P-C4' energy: -18.489
flat angles C4'-P-C4' energy: -21.129
flat angles P-C4'-P energy: -8.664
tors. eta vs tors. theta energy: -5.162
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 267
Temperature: 0.900000
Total energy: -340.160623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.160623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.160623 (E_RNA)
where:
Base-Base interactions energy: -241.922
where: short stacking energy: -93.274
Base-Backbone interact. energy: -0.307
local terms energy: -97.931645
where:
bonds (distance) C4'-P energy: -20.415
bonds (distance) P-C4' energy: -19.040
flat angles C4'-P-C4' energy: -18.641
flat angles P-C4'-P energy: -14.948
tors. eta vs tors. theta energy: -24.887
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 267
Temperature: 0.950000
Total energy: -308.548934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.548934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.548934 (E_RNA)
where:
Base-Base interactions energy: -211.482
where: short stacking energy: -97.877
Base-Backbone interact. energy: -0.149
local terms energy: -96.917724
where:
bonds (distance) C4'-P energy: -20.308
bonds (distance) P-C4' energy: -16.642
flat angles C4'-P-C4' energy: -21.999
flat angles P-C4'-P energy: -13.022
tors. eta vs tors. theta energy: -24.947
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 267
Temperature: 1.000000
Total energy: -277.249590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.249590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.249590 (E_RNA)
where:
Base-Base interactions energy: -181.605
where: short stacking energy: -96.295
Base-Backbone interact. energy: -0.114
local terms energy: -95.529965
where:
bonds (distance) C4'-P energy: -18.403
bonds (distance) P-C4' energy: -21.112
flat angles C4'-P-C4' energy: -15.690
flat angles P-C4'-P energy: -12.989
tors. eta vs tors. theta energy: -27.335
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 267
Temperature: 1.050000
Total energy: -258.614485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.614485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.614485 (E_RNA)
where:
Base-Base interactions energy: -176.702
where: short stacking energy: -77.848
Base-Backbone interact. energy: -0.131
local terms energy: -81.781524
where:
bonds (distance) C4'-P energy: -16.690
bonds (distance) P-C4' energy: -17.476
flat angles C4'-P-C4' energy: -20.221
flat angles P-C4'-P energy: -9.626
tors. eta vs tors. theta energy: -17.770
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 267
Temperature: 1.100000
Total energy: -279.993710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.993710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.993710 (E_RNA)
where:
Base-Base interactions energy: -179.110
where: short stacking energy: -108.207
Base-Backbone interact. energy: -0.005
local terms energy: -100.878985
where:
bonds (distance) C4'-P energy: -16.640
bonds (distance) P-C4' energy: -19.942
flat angles C4'-P-C4' energy: -19.870
flat angles P-C4'-P energy: -14.077
tors. eta vs tors. theta energy: -30.350
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 267
Temperature: 1.150000
Total energy: -256.545492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.545492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.545492 (E_RNA)
where:
Base-Base interactions energy: -176.682
where: short stacking energy: -70.264
Base-Backbone interact. energy: -0.441
local terms energy: -79.422741
where:
bonds (distance) C4'-P energy: -16.767
bonds (distance) P-C4' energy: -19.999
flat angles C4'-P-C4' energy: -21.499
flat angles P-C4'-P energy: -6.732
tors. eta vs tors. theta energy: -14.426
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 267
Temperature: 1.200000
Total energy: -232.317014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.317014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.317014 (E_RNA)
where:
Base-Base interactions energy: -154.009
where: short stacking energy: -56.782
Base-Backbone interact. energy: -0.123
local terms energy: -78.185172
where:
bonds (distance) C4'-P energy: -15.116
bonds (distance) P-C4' energy: -15.411
flat angles C4'-P-C4' energy: -17.795
flat angles P-C4'-P energy: -11.080
tors. eta vs tors. theta energy: -18.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 267
Temperature: 1.250000
Total energy: -182.935189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.935189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.935189 (E_RNA)
where:
Base-Base interactions energy: -104.338
where: short stacking energy: -51.837
Base-Backbone interact. energy: -0.091
local terms energy: -78.506217
where:
bonds (distance) C4'-P energy: -17.812
bonds (distance) P-C4' energy: -19.302
flat angles C4'-P-C4' energy: -17.505
flat angles P-C4'-P energy: -14.558
tors. eta vs tors. theta energy: -9.329
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 267
Temperature: 1.300000
Total energy: -122.841279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.841279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.841279 (E_RNA)
where:
Base-Base interactions energy: -64.039
where: short stacking energy: -41.980
Base-Backbone interact. energy: -0.259
local terms energy: -58.543230
where:
bonds (distance) C4'-P energy: -10.720
bonds (distance) P-C4' energy: -15.949
flat angles C4'-P-C4' energy: -15.775
flat angles P-C4'-P energy: -13.411
tors. eta vs tors. theta energy: -2.688
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 267
Temperature: 1.350000
Total energy: -102.018640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.018640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.018640 (E_RNA)
where:
Base-Base interactions energy: -35.239
where: short stacking energy: -30.242
Base-Backbone interact. energy: 0.619
local terms energy: -67.398053
where:
bonds (distance) C4'-P energy: -14.222
bonds (distance) P-C4' energy: -20.225
flat angles C4'-P-C4' energy: -14.441
flat angles P-C4'-P energy: -13.045
tors. eta vs tors. theta energy: -5.465
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 268
Temperature: 0.900000
Total energy: -346.887545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.887545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.887545 (E_RNA)
where:
Base-Base interactions energy: -250.548
where: short stacking energy: -100.715
Base-Backbone interact. energy: -0.517
local terms energy: -95.822630
where:
bonds (distance) C4'-P energy: -16.925
bonds (distance) P-C4' energy: -19.450
flat angles C4'-P-C4' energy: -20.208
flat angles P-C4'-P energy: -14.395
tors. eta vs tors. theta energy: -24.844
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 268
Temperature: 0.950000
Total energy: -310.352570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.352570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.352570 (E_RNA)
where:
Base-Base interactions energy: -206.268
where: short stacking energy: -87.097
Base-Backbone interact. energy: -0.165
local terms energy: -103.919857
where:
bonds (distance) C4'-P energy: -19.410
bonds (distance) P-C4' energy: -21.973
flat angles C4'-P-C4' energy: -23.189
flat angles P-C4'-P energy: -10.912
tors. eta vs tors. theta energy: -28.436
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 268
Temperature: 1.000000
Total energy: -274.354444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.354444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.354444 (E_RNA)
where:
Base-Base interactions energy: -184.673
where: short stacking energy: -81.149
Base-Backbone interact. energy: -0.124
local terms energy: -89.557051
where:
bonds (distance) C4'-P energy: -17.836
bonds (distance) P-C4' energy: -22.697
flat angles C4'-P-C4' energy: -14.459
flat angles P-C4'-P energy: -10.963
tors. eta vs tors. theta energy: -23.602
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 268
Temperature: 1.050000
Total energy: -259.811071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.811071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.811071 (E_RNA)
where:
Base-Base interactions energy: -158.033
where: short stacking energy: -83.885
Base-Backbone interact. energy: -0.323
local terms energy: -101.454846
where:
bonds (distance) C4'-P energy: -18.336
bonds (distance) P-C4' energy: -21.827
flat angles C4'-P-C4' energy: -20.724
flat angles P-C4'-P energy: -16.621
tors. eta vs tors. theta energy: -23.948
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 268
Temperature: 1.100000
Total energy: -269.524039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.524039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.524039 (E_RNA)
where:
Base-Base interactions energy: -170.884
where: short stacking energy: -92.750
Base-Backbone interact. energy: -0.351
local terms energy: -98.289632
where:
bonds (distance) C4'-P energy: -16.677
bonds (distance) P-C4' energy: -20.057
flat angles C4'-P-C4' energy: -20.555
flat angles P-C4'-P energy: -13.540
tors. eta vs tors. theta energy: -27.461
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 268
Temperature: 1.150000
Total energy: -261.093475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.093475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.093475 (E_RNA)
where:
Base-Base interactions energy: -177.045
where: short stacking energy: -78.511
Base-Backbone interact. energy: -0.015
local terms energy: -84.033504
where:
bonds (distance) C4'-P energy: -20.303
bonds (distance) P-C4' energy: -15.895
flat angles C4'-P-C4' energy: -15.347
flat angles P-C4'-P energy: -12.385
tors. eta vs tors. theta energy: -20.104
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 268
Temperature: 1.200000
Total energy: -193.058887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.058887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.058887 (E_RNA)
where:
Base-Base interactions energy: -120.345
where: short stacking energy: -66.224
Base-Backbone interact. energy: -0.274
local terms energy: -72.439127
where:
bonds (distance) C4'-P energy: -13.795
bonds (distance) P-C4' energy: -20.729
flat angles C4'-P-C4' energy: -16.962
flat angles P-C4'-P energy: -11.093
tors. eta vs tors. theta energy: -9.860
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 268
Temperature: 1.250000
Total energy: -220.965247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.965247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.965247 (E_RNA)
where:
Base-Base interactions energy: -136.851
where: short stacking energy: -61.286
Base-Backbone interact. energy: -0.198
local terms energy: -83.915945
where:
bonds (distance) C4'-P energy: -18.752
bonds (distance) P-C4' energy: -17.961
flat angles C4'-P-C4' energy: -21.932
flat angles P-C4'-P energy: -14.252
tors. eta vs tors. theta energy: -11.019
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 268
Temperature: 1.300000
Total energy: -121.631005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.631005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.631005 (E_RNA)
where:
Base-Base interactions energy: -52.344
where: short stacking energy: -52.586
Base-Backbone interact. energy: -0.073
local terms energy: -69.214233
where:
bonds (distance) C4'-P energy: -17.504
bonds (distance) P-C4' energy: -17.474
flat angles C4'-P-C4' energy: -16.072
flat angles P-C4'-P energy: -10.546
tors. eta vs tors. theta energy: -7.618
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 268
Temperature: 1.350000
Total energy: -102.504082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.504082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.504082 (E_RNA)
where:
Base-Base interactions energy: -47.066
where: short stacking energy: -33.452
Base-Backbone interact. energy: -0.434
local terms energy: -55.003795
where:
bonds (distance) C4'-P energy: -20.201
bonds (distance) P-C4' energy: -15.205
flat angles C4'-P-C4' energy: -16.777
flat angles P-C4'-P energy: -5.672
tors. eta vs tors. theta energy: 2.851
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 269
Temperature: 0.900000
Total energy: -341.419260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.419260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.419260 (E_RNA)
where:
Base-Base interactions energy: -241.458
where: short stacking energy: -97.307
Base-Backbone interact. energy: -0.892
local terms energy: -99.068925
where:
bonds (distance) C4'-P energy: -19.034
bonds (distance) P-C4' energy: -18.330
flat angles C4'-P-C4' energy: -21.544
flat angles P-C4'-P energy: -14.736
tors. eta vs tors. theta energy: -25.424
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 269
Temperature: 0.950000
Total energy: -308.812286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.812286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.812286 (E_RNA)
where:
Base-Base interactions energy: -204.743
where: short stacking energy: -92.508
Base-Backbone interact. energy: 0.685
local terms energy: -104.753986
where:
bonds (distance) C4'-P energy: -19.153
bonds (distance) P-C4' energy: -23.473
flat angles C4'-P-C4' energy: -20.619
flat angles P-C4'-P energy: -14.296
tors. eta vs tors. theta energy: -27.214
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 269
Temperature: 1.000000
Total energy: -278.511729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.511729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.511729 (E_RNA)
where:
Base-Base interactions energy: -188.051
where: short stacking energy: -89.405
Base-Backbone interact. energy: -0.209
local terms energy: -90.252299
where:
bonds (distance) C4'-P energy: -19.103
bonds (distance) P-C4' energy: -19.502
flat angles C4'-P-C4' energy: -15.811
flat angles P-C4'-P energy: -13.267
tors. eta vs tors. theta energy: -22.570
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 269
Temperature: 1.050000
Total energy: -255.644093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.644093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.644093 (E_RNA)
where:
Base-Base interactions energy: -167.737
where: short stacking energy: -75.593
Base-Backbone interact. energy: -0.334
local terms energy: -87.573007
where:
bonds (distance) C4'-P energy: -18.255
bonds (distance) P-C4' energy: -20.900
flat angles C4'-P-C4' energy: -17.366
flat angles P-C4'-P energy: -13.874
tors. eta vs tors. theta energy: -17.178
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 269
Temperature: 1.100000
Total energy: -231.529395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.529395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.529395 (E_RNA)
where:
Base-Base interactions energy: -140.167
where: short stacking energy: -72.409
Base-Backbone interact. energy: -0.406
local terms energy: -90.956119
where:
bonds (distance) C4'-P energy: -19.641
bonds (distance) P-C4' energy: -17.841
flat angles C4'-P-C4' energy: -21.397
flat angles P-C4'-P energy: -12.512
tors. eta vs tors. theta energy: -19.565
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 269
Temperature: 1.150000
Total energy: -257.661226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.661226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.661226 (E_RNA)
where:
Base-Base interactions energy: -185.574
where: short stacking energy: -80.703
Base-Backbone interact. energy: 1.136
local terms energy: -73.223563
where:
bonds (distance) C4'-P energy: -16.372
bonds (distance) P-C4' energy: -15.005
flat angles C4'-P-C4' energy: -11.915
flat angles P-C4'-P energy: -13.635
tors. eta vs tors. theta energy: -16.296
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 269
Temperature: 1.200000
Total energy: -189.462549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.462549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.462549 (E_RNA)
where:
Base-Base interactions energy: -122.486
where: short stacking energy: -65.361
Base-Backbone interact. energy: 0.643
local terms energy: -67.619645
where:
bonds (distance) C4'-P energy: -14.437
bonds (distance) P-C4' energy: -12.935
flat angles C4'-P-C4' energy: -19.412
flat angles P-C4'-P energy: -7.129
tors. eta vs tors. theta energy: -13.708
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 269
Temperature: 1.250000
Total energy: -226.246287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.246287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.246287 (E_RNA)
where:
Base-Base interactions energy: -143.383
where: short stacking energy: -58.783
Base-Backbone interact. energy: -0.450
local terms energy: -82.413824
where:
bonds (distance) C4'-P energy: -17.364
bonds (distance) P-C4' energy: -20.055
flat angles C4'-P-C4' energy: -12.602
flat angles P-C4'-P energy: -12.825
tors. eta vs tors. theta energy: -19.567
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 269
Temperature: 1.300000
Total energy: -114.239446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.239446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.239446 (E_RNA)
where:
Base-Base interactions energy: -42.397
where: short stacking energy: -39.022
Base-Backbone interact. energy: 0.075
local terms energy: -71.917616
where:
bonds (distance) C4'-P energy: -18.013
bonds (distance) P-C4' energy: -17.213
flat angles C4'-P-C4' energy: -15.448
flat angles P-C4'-P energy: -13.679
tors. eta vs tors. theta energy: -7.564
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 269
Temperature: 1.350000
Total energy: -105.475461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.475461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.475461 (E_RNA)
where:
Base-Base interactions energy: -39.740
where: short stacking energy: -39.740
Base-Backbone interact. energy: -0.140
local terms energy: -65.595458
where:
bonds (distance) C4'-P energy: -20.237
bonds (distance) P-C4' energy: -20.699
flat angles C4'-P-C4' energy: -13.726
flat angles P-C4'-P energy: -7.382
tors. eta vs tors. theta energy: -3.552
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 270
Temperature: 0.900000
Total energy: -342.454032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.454032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.454032 (E_RNA)
where:
Base-Base interactions energy: -243.908
where: short stacking energy: -99.603
Base-Backbone interact. energy: -0.492
local terms energy: -98.054128
where:
bonds (distance) C4'-P energy: -18.941
bonds (distance) P-C4' energy: -19.034
flat angles C4'-P-C4' energy: -20.305
flat angles P-C4'-P energy: -14.033
tors. eta vs tors. theta energy: -25.741
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 270
Temperature: 0.950000
Total energy: -303.728998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.728998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.728998 (E_RNA)
where:
Base-Base interactions energy: -203.835
where: short stacking energy: -97.026
Base-Backbone interact. energy: -1.303
local terms energy: -98.591633
where:
bonds (distance) C4'-P energy: -17.462
bonds (distance) P-C4' energy: -20.961
flat angles C4'-P-C4' energy: -22.996
flat angles P-C4'-P energy: -13.399
tors. eta vs tors. theta energy: -23.774
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 270
Temperature: 1.000000
Total energy: -275.910472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.910472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.910472 (E_RNA)
where:
Base-Base interactions energy: -186.993
where: short stacking energy: -85.052
Base-Backbone interact. energy: -0.178
local terms energy: -88.739162
where:
bonds (distance) C4'-P energy: -18.050
bonds (distance) P-C4' energy: -17.241
flat angles C4'-P-C4' energy: -19.880
flat angles P-C4'-P energy: -13.354
tors. eta vs tors. theta energy: -20.214
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 270
Temperature: 1.050000
Total energy: -276.497144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.497144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.497144 (E_RNA)
where:
Base-Base interactions energy: -183.110
where: short stacking energy: -85.511
Base-Backbone interact. energy: -0.077
local terms energy: -93.310361
where:
bonds (distance) C4'-P energy: -15.410
bonds (distance) P-C4' energy: -20.505
flat angles C4'-P-C4' energy: -21.684
flat angles P-C4'-P energy: -13.566
tors. eta vs tors. theta energy: -22.144
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 270
Temperature: 1.100000
Total energy: -277.979740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.979740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.979740 (E_RNA)
where:
Base-Base interactions energy: -190.991
where: short stacking energy: -87.857
Base-Backbone interact. energy: -0.006
local terms energy: -86.983464
where:
bonds (distance) C4'-P energy: -15.967
bonds (distance) P-C4' energy: -15.539
flat angles C4'-P-C4' energy: -19.217
flat angles P-C4'-P energy: -13.008
tors. eta vs tors. theta energy: -23.253
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 270
Temperature: 1.150000
Total energy: -226.781279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.781279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.781279 (E_RNA)
where:
Base-Base interactions energy: -149.196
where: short stacking energy: -75.244
Base-Backbone interact. energy: -0.024
local terms energy: -77.561958
where:
bonds (distance) C4'-P energy: -12.859
bonds (distance) P-C4' energy: -16.543
flat angles C4'-P-C4' energy: -13.250
flat angles P-C4'-P energy: -15.844
tors. eta vs tors. theta energy: -19.066
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 270
Temperature: 1.200000
Total energy: -226.201526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.201526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.201526 (E_RNA)
where:
Base-Base interactions energy: -138.227
where: short stacking energy: -68.207
Base-Backbone interact. energy: -0.107
local terms energy: -87.868018
where:
bonds (distance) C4'-P energy: -22.171
bonds (distance) P-C4' energy: -18.642
flat angles C4'-P-C4' energy: -15.642
flat angles P-C4'-P energy: -16.933
tors. eta vs tors. theta energy: -14.481
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 270
Temperature: 1.250000
Total energy: -194.257435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.257435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.257435 (E_RNA)
where:
Base-Base interactions energy: -110.567
where: short stacking energy: -53.423
Base-Backbone interact. energy: -0.271
local terms energy: -83.419305
where:
bonds (distance) C4'-P energy: -17.765
bonds (distance) P-C4' energy: -15.650
flat angles C4'-P-C4' energy: -17.690
flat angles P-C4'-P energy: -15.970
tors. eta vs tors. theta energy: -16.344
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 270
Temperature: 1.300000
Total energy: -121.697640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.697640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.697640 (E_RNA)
where:
Base-Base interactions energy: -51.336
where: short stacking energy: -39.216
Base-Backbone interact. energy: -0.022
local terms energy: -70.340430
where:
bonds (distance) C4'-P energy: -18.151
bonds (distance) P-C4' energy: -16.882
flat angles C4'-P-C4' energy: -14.623
flat angles P-C4'-P energy: -12.295
tors. eta vs tors. theta energy: -8.390
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 270
Temperature: 1.350000
Total energy: -100.394239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.394239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.394239 (E_RNA)
where:
Base-Base interactions energy: -43.449
where: short stacking energy: -39.410
Base-Backbone interact. energy: -0.149
local terms energy: -56.796143
where:
bonds (distance) C4'-P energy: -9.615
bonds (distance) P-C4' energy: -18.946
flat angles C4'-P-C4' energy: -15.134
flat angles P-C4'-P energy: -11.062
tors. eta vs tors. theta energy: -2.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 271
Temperature: 0.900000
Total energy: -352.726342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.726342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.726342 (E_RNA)
where:
Base-Base interactions energy: -258.100
where: short stacking energy: -102.474
Base-Backbone interact. energy: -0.343
local terms energy: -94.282601
where:
bonds (distance) C4'-P energy: -18.934
bonds (distance) P-C4' energy: -16.995
flat angles C4'-P-C4' energy: -19.975
flat angles P-C4'-P energy: -13.939
tors. eta vs tors. theta energy: -24.440
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 271
Temperature: 0.950000
Total energy: -283.354989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.354989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.354989 (E_RNA)
where:
Base-Base interactions energy: -190.680
where: short stacking energy: -89.559
Base-Backbone interact. energy: -0.085
local terms energy: -92.589716
where:
bonds (distance) C4'-P energy: -14.216
bonds (distance) P-C4' energy: -17.038
flat angles C4'-P-C4' energy: -24.227
flat angles P-C4'-P energy: -16.586
tors. eta vs tors. theta energy: -20.523
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 271
Temperature: 1.000000
Total energy: -300.048019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.048019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.048019 (E_RNA)
where:
Base-Base interactions energy: -206.293
where: short stacking energy: -85.856
Base-Backbone interact. energy: -1.264
local terms energy: -92.490707
where:
bonds (distance) C4'-P energy: -17.291
bonds (distance) P-C4' energy: -18.458
flat angles C4'-P-C4' energy: -20.817
flat angles P-C4'-P energy: -6.904
tors. eta vs tors. theta energy: -29.020
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 271
Temperature: 1.050000
Total energy: -276.354939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.354939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.354939 (E_RNA)
where:
Base-Base interactions energy: -188.639
where: short stacking energy: -90.499
Base-Backbone interact. energy: -0.290
local terms energy: -87.426079
where:
bonds (distance) C4'-P energy: -13.808
bonds (distance) P-C4' energy: -17.738
flat angles C4'-P-C4' energy: -18.957
flat angles P-C4'-P energy: -12.136
tors. eta vs tors. theta energy: -24.787
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 271
Temperature: 1.100000
Total energy: -276.527189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.527189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.527189 (E_RNA)
where:
Base-Base interactions energy: -187.267
where: short stacking energy: -84.276
Base-Backbone interact. energy: -0.448
local terms energy: -88.812009
where:
bonds (distance) C4'-P energy: -13.366
bonds (distance) P-C4' energy: -19.299
flat angles C4'-P-C4' energy: -20.428
flat angles P-C4'-P energy: -14.351
tors. eta vs tors. theta energy: -21.369
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 271
Temperature: 1.150000
Total energy: -235.099623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.099623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.099623 (E_RNA)
where:
Base-Base interactions energy: -149.608
where: short stacking energy: -70.090
Base-Backbone interact. energy: -0.035
local terms energy: -85.456522
where:
bonds (distance) C4'-P energy: -18.155
bonds (distance) P-C4' energy: -22.069
flat angles C4'-P-C4' energy: -17.826
flat angles P-C4'-P energy: -14.474
tors. eta vs tors. theta energy: -12.932
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 271
Temperature: 1.200000
Total energy: -189.526619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.526619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.526619 (E_RNA)
where:
Base-Base interactions energy: -113.345
where: short stacking energy: -58.527
Base-Backbone interact. energy: 0.921
local terms energy: -77.102804
where:
bonds (distance) C4'-P energy: -15.070
bonds (distance) P-C4' energy: -18.147
flat angles C4'-P-C4' energy: -21.084
flat angles P-C4'-P energy: -13.248
tors. eta vs tors. theta energy: -9.554
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 271
Temperature: 1.250000
Total energy: -201.457549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.457549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.457549 (E_RNA)
where:
Base-Base interactions energy: -124.758
where: short stacking energy: -64.838
Base-Backbone interact. energy: -0.167
local terms energy: -76.531915
where:
bonds (distance) C4'-P energy: -13.448
bonds (distance) P-C4' energy: -15.496
flat angles C4'-P-C4' energy: -21.069
flat angles P-C4'-P energy: -12.150
tors. eta vs tors. theta energy: -14.369
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 271
Temperature: 1.300000
Total energy: -112.000239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.000239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.000239 (E_RNA)
where:
Base-Base interactions energy: -41.052
where: short stacking energy: -37.332
Base-Backbone interact. energy: -0.915
local terms energy: -70.033535
where:
bonds (distance) C4'-P energy: -17.477
bonds (distance) P-C4' energy: -20.351
flat angles C4'-P-C4' energy: -16.724
flat angles P-C4'-P energy: -11.612
tors. eta vs tors. theta energy: -3.869
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 271
Temperature: 1.350000
Total energy: -95.970460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.970460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.970460 (E_RNA)
where:
Base-Base interactions energy: -36.273
where: short stacking energy: -33.011
Base-Backbone interact. energy: -0.080
local terms energy: -59.617413
where:
bonds (distance) C4'-P energy: -17.310
bonds (distance) P-C4' energy: -17.782
flat angles C4'-P-C4' energy: -15.539
flat angles P-C4'-P energy: -3.753
tors. eta vs tors. theta energy: -5.234
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 272
Temperature: 0.900000
Total energy: -351.972409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.972409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.972409 (E_RNA)
where:
Base-Base interactions energy: -252.859
where: short stacking energy: -103.308
Base-Backbone interact. energy: -0.365
local terms energy: -98.747859
where:
bonds (distance) C4'-P energy: -18.452
bonds (distance) P-C4' energy: -17.370
flat angles C4'-P-C4' energy: -21.881
flat angles P-C4'-P energy: -16.196
tors. eta vs tors. theta energy: -24.849
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 272
Temperature: 0.950000
Total energy: -276.834942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.834942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.834942 (E_RNA)
where:
Base-Base interactions energy: -182.016
where: short stacking energy: -90.889
Base-Backbone interact. energy: -0.054
local terms energy: -94.765108
where:
bonds (distance) C4'-P energy: -20.188
bonds (distance) P-C4' energy: -21.307
flat angles C4'-P-C4' energy: -20.760
flat angles P-C4'-P energy: -13.476
tors. eta vs tors. theta energy: -19.033
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 272
Temperature: 1.000000
Total energy: -277.138679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.138679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.138679 (E_RNA)
where:
Base-Base interactions energy: -190.491
where: short stacking energy: -90.577
Base-Backbone interact. energy: -0.742
local terms energy: -85.906453
where:
bonds (distance) C4'-P energy: -16.101
bonds (distance) P-C4' energy: -18.366
flat angles C4'-P-C4' energy: -21.138
flat angles P-C4'-P energy: -12.131
tors. eta vs tors. theta energy: -18.169
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 272
Temperature: 1.050000
Total energy: -299.943519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.943519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.943519 (E_RNA)
where:
Base-Base interactions energy: -206.921
where: short stacking energy: -84.534
Base-Backbone interact. energy: -0.232
local terms energy: -92.790804
where:
bonds (distance) C4'-P energy: -20.101
bonds (distance) P-C4' energy: -17.895
flat angles C4'-P-C4' energy: -19.508
flat angles P-C4'-P energy: -11.723
tors. eta vs tors. theta energy: -23.563
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 272
Temperature: 1.100000
Total energy: -296.338726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.338726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.338726 (E_RNA)
where:
Base-Base interactions energy: -215.652
where: short stacking energy: -91.254
Base-Backbone interact. energy: -0.698
local terms energy: -79.988661
where:
bonds (distance) C4'-P energy: -16.736
bonds (distance) P-C4' energy: -19.390
flat angles C4'-P-C4' energy: -16.658
flat angles P-C4'-P energy: -10.076
tors. eta vs tors. theta energy: -17.129
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 272
Temperature: 1.150000
Total energy: -242.103764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.103764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.103764 (E_RNA)
where:
Base-Base interactions energy: -154.478
where: short stacking energy: -62.439
Base-Backbone interact. energy: -0.334
local terms energy: -87.291157
where:
bonds (distance) C4'-P energy: -15.664
bonds (distance) P-C4' energy: -20.471
flat angles C4'-P-C4' energy: -17.682
flat angles P-C4'-P energy: -13.945
tors. eta vs tors. theta energy: -19.529
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 272
Temperature: 1.200000
Total energy: -198.181363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.181363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.181363 (E_RNA)
where:
Base-Base interactions energy: -121.927
where: short stacking energy: -67.900
Base-Backbone interact. energy: -0.001
local terms energy: -76.253047
where:
bonds (distance) C4'-P energy: -20.010
bonds (distance) P-C4' energy: -15.664
flat angles C4'-P-C4' energy: -14.574
flat angles P-C4'-P energy: -7.371
tors. eta vs tors. theta energy: -18.635
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 272
Temperature: 1.250000
Total energy: -200.029233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.029233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.029233 (E_RNA)
where:
Base-Base interactions energy: -124.104
where: short stacking energy: -65.706
Base-Backbone interact. energy: -0.712
local terms energy: -75.213335
where:
bonds (distance) C4'-P energy: -17.794
bonds (distance) P-C4' energy: -16.769
flat angles C4'-P-C4' energy: -19.664
flat angles P-C4'-P energy: -7.738
tors. eta vs tors. theta energy: -13.248
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 272
Temperature: 1.300000
Total energy: -112.050897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.050897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.050897 (E_RNA)
where:
Base-Base interactions energy: -53.025
where: short stacking energy: -35.422
Base-Backbone interact. energy: -0.482
local terms energy: -58.543711
where:
bonds (distance) C4'-P energy: -14.589
bonds (distance) P-C4' energy: -16.174
flat angles C4'-P-C4' energy: -13.547
flat angles P-C4'-P energy: -12.406
tors. eta vs tors. theta energy: -1.827
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 272
Temperature: 1.350000
Total energy: -96.703934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.703934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.703934 (E_RNA)
where:
Base-Base interactions energy: -41.931
where: short stacking energy: -35.783
Base-Backbone interact. energy: 1.665
local terms energy: -56.438296
where:
bonds (distance) C4'-P energy: -15.132
bonds (distance) P-C4' energy: -14.166
flat angles C4'-P-C4' energy: -9.812
flat angles P-C4'-P energy: -15.113
tors. eta vs tors. theta energy: -2.217
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 273
Temperature: 0.900000
Total energy: -352.510651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.510651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.510651 (E_RNA)
where:
Base-Base interactions energy: -241.844
where: short stacking energy: -93.184
Base-Backbone interact. energy: -0.390
local terms energy: -110.276137
where:
bonds (distance) C4'-P energy: -21.293
bonds (distance) P-C4' energy: -24.003
flat angles C4'-P-C4' energy: -22.475
flat angles P-C4'-P energy: -16.915
tors. eta vs tors. theta energy: -25.589
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 273
Temperature: 0.950000
Total energy: -273.744329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.744329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.744329 (E_RNA)
where:
Base-Base interactions energy: -185.885
where: short stacking energy: -92.508
Base-Backbone interact. energy: -0.058
local terms energy: -87.800533
where:
bonds (distance) C4'-P energy: -19.647
bonds (distance) P-C4' energy: -19.685
flat angles C4'-P-C4' energy: -20.955
flat angles P-C4'-P energy: -6.321
tors. eta vs tors. theta energy: -21.193
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 273
Temperature: 1.000000
Total energy: -270.308007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.308007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.308007 (E_RNA)
where:
Base-Base interactions energy: -170.959
where: short stacking energy: -68.432
Base-Backbone interact. energy: -0.533
local terms energy: -98.815446
where:
bonds (distance) C4'-P energy: -19.332
bonds (distance) P-C4' energy: -20.281
flat angles C4'-P-C4' energy: -20.036
flat angles P-C4'-P energy: -18.366
tors. eta vs tors. theta energy: -20.801
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 273
Temperature: 1.050000
Total energy: -284.350196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.350196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.350196 (E_RNA)
where:
Base-Base interactions energy: -203.248
where: short stacking energy: -95.250
Base-Backbone interact. energy: 0.294
local terms energy: -81.396222
where:
bonds (distance) C4'-P energy: -10.239
bonds (distance) P-C4' energy: -20.107
flat angles C4'-P-C4' energy: -17.359
flat angles P-C4'-P energy: -9.960
tors. eta vs tors. theta energy: -23.731
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 273
Temperature: 1.100000
Total energy: -287.592831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.592831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.592831 (E_RNA)
where:
Base-Base interactions energy: -190.916
where: short stacking energy: -89.943
Base-Backbone interact. energy: -0.440
local terms energy: -96.236574
where:
bonds (distance) C4'-P energy: -22.642
bonds (distance) P-C4' energy: -18.439
flat angles C4'-P-C4' energy: -18.912
flat angles P-C4'-P energy: -12.656
tors. eta vs tors. theta energy: -23.587
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 273
Temperature: 1.150000
Total energy: -243.334908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.334908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.334908 (E_RNA)
where:
Base-Base interactions energy: -161.512
where: short stacking energy: -69.342
Base-Backbone interact. energy: -0.200
local terms energy: -81.623067
where:
bonds (distance) C4'-P energy: -22.341
bonds (distance) P-C4' energy: -12.418
flat angles C4'-P-C4' energy: -17.259
flat angles P-C4'-P energy: -13.971
tors. eta vs tors. theta energy: -15.635
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 273
Temperature: 1.200000
Total energy: -190.535402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.535402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.535402 (E_RNA)
where:
Base-Base interactions energy: -117.118
where: short stacking energy: -54.774
Base-Backbone interact. energy: -0.218
local terms energy: -73.199979
where:
bonds (distance) C4'-P energy: -16.550
bonds (distance) P-C4' energy: -19.306
flat angles C4'-P-C4' energy: -17.105
flat angles P-C4'-P energy: -10.088
tors. eta vs tors. theta energy: -10.151
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 273
Temperature: 1.250000
Total energy: -206.316957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.316957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.316957 (E_RNA)
where:
Base-Base interactions energy: -118.176
where: short stacking energy: -64.346
Base-Backbone interact. energy: -0.191
local terms energy: -87.949889
where:
bonds (distance) C4'-P energy: -12.847
bonds (distance) P-C4' energy: -21.026
flat angles C4'-P-C4' energy: -18.753
flat angles P-C4'-P energy: -13.234
tors. eta vs tors. theta energy: -22.089
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 273
Temperature: 1.300000
Total energy: -114.167115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.167115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.167115 (E_RNA)
where:
Base-Base interactions energy: -58.467
where: short stacking energy: -35.744
Base-Backbone interact. energy: -0.409
local terms energy: -55.291019
where:
bonds (distance) C4'-P energy: -16.345
bonds (distance) P-C4' energy: -19.412
flat angles C4'-P-C4' energy: -13.317
flat angles P-C4'-P energy: -7.251
tors. eta vs tors. theta energy: 1.034
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 273
Temperature: 1.350000
Total energy: -107.387436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.387436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.387436 (E_RNA)
where:
Base-Base interactions energy: -45.039
where: short stacking energy: -36.087
Base-Backbone interact. energy: -0.087
local terms energy: -62.261596
where:
bonds (distance) C4'-P energy: -21.559
bonds (distance) P-C4' energy: -13.707
flat angles C4'-P-C4' energy: -15.431
flat angles P-C4'-P energy: -9.957
tors. eta vs tors. theta energy: -1.608
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 274
Temperature: 0.900000
Total energy: -333.909559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.909559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.909559 (E_RNA)
where:
Base-Base interactions energy: -230.135
where: short stacking energy: -92.835
Base-Backbone interact. energy: -0.673
local terms energy: -103.101438
where:
bonds (distance) C4'-P energy: -21.756
bonds (distance) P-C4' energy: -19.867
flat angles C4'-P-C4' energy: -22.797
flat angles P-C4'-P energy: -16.282
tors. eta vs tors. theta energy: -22.399
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 274
Temperature: 0.950000
Total energy: -288.107154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.107154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.107154 (E_RNA)
where:
Base-Base interactions energy: -194.205
where: short stacking energy: -101.487
Base-Backbone interact. energy: -0.235
local terms energy: -93.667540
where:
bonds (distance) C4'-P energy: -17.914
bonds (distance) P-C4' energy: -17.273
flat angles C4'-P-C4' energy: -22.121
flat angles P-C4'-P energy: -11.785
tors. eta vs tors. theta energy: -24.574
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 274
Temperature: 1.000000
Total energy: -260.965764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.965764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.965764 (E_RNA)
where:
Base-Base interactions energy: -175.097
where: short stacking energy: -75.567
Base-Backbone interact. energy: -0.405
local terms energy: -85.463641
where:
bonds (distance) C4'-P energy: -16.853
bonds (distance) P-C4' energy: -20.255
flat angles C4'-P-C4' energy: -22.882
flat angles P-C4'-P energy: -12.895
tors. eta vs tors. theta energy: -12.579
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 274
Temperature: 1.050000
Total energy: -283.033931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.033931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.033931 (E_RNA)
where:
Base-Base interactions energy: -185.531
where: short stacking energy: -82.439
Base-Backbone interact. energy: -0.297
local terms energy: -97.206365
where:
bonds (distance) C4'-P energy: -17.712
bonds (distance) P-C4' energy: -20.590
flat angles C4'-P-C4' energy: -22.635
flat angles P-C4'-P energy: -14.081
tors. eta vs tors. theta energy: -22.189
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 274
Temperature: 1.100000
Total energy: -256.293391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.293391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.293391 (E_RNA)
where:
Base-Base interactions energy: -165.328
where: short stacking energy: -87.263
Base-Backbone interact. energy: -0.052
local terms energy: -90.913816
where:
bonds (distance) C4'-P energy: -14.730
bonds (distance) P-C4' energy: -21.157
flat angles C4'-P-C4' energy: -20.412
flat angles P-C4'-P energy: -15.899
tors. eta vs tors. theta energy: -18.716
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 274
Temperature: 1.150000
Total energy: -263.527911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.527911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.527911 (E_RNA)
where:
Base-Base interactions energy: -172.951
where: short stacking energy: -79.943
Base-Backbone interact. energy: -0.770
local terms energy: -89.806470
where:
bonds (distance) C4'-P energy: -14.065
bonds (distance) P-C4' energy: -18.673
flat angles C4'-P-C4' energy: -19.264
flat angles P-C4'-P energy: -12.609
tors. eta vs tors. theta energy: -25.195
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 274
Temperature: 1.200000
Total energy: -220.100716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.100716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.100716 (E_RNA)
where:
Base-Base interactions energy: -136.155
where: short stacking energy: -74.203
Base-Backbone interact. energy: -0.356
local terms energy: -83.589553
where:
bonds (distance) C4'-P energy: -17.943
bonds (distance) P-C4' energy: -21.919
flat angles C4'-P-C4' energy: -10.841
flat angles P-C4'-P energy: -11.695
tors. eta vs tors. theta energy: -21.190
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 274
Temperature: 1.250000
Total energy: -183.777662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.777662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.777662 (E_RNA)
where:
Base-Base interactions energy: -112.598
where: short stacking energy: -53.350
Base-Backbone interact. energy: -0.216
local terms energy: -70.962995
where:
bonds (distance) C4'-P energy: -14.114
bonds (distance) P-C4' energy: -15.558
flat angles C4'-P-C4' energy: -16.972
flat angles P-C4'-P energy: -13.583
tors. eta vs tors. theta energy: -10.736
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 274
Temperature: 1.300000
Total energy: -105.125854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.125854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.125854 (E_RNA)
where:
Base-Base interactions energy: -41.977
where: short stacking energy: -37.742
Base-Backbone interact. energy: -0.196
local terms energy: -62.953301
where:
bonds (distance) C4'-P energy: -14.304
bonds (distance) P-C4' energy: -21.278
flat angles C4'-P-C4' energy: -9.814
flat angles P-C4'-P energy: -13.851
tors. eta vs tors. theta energy: -3.706
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 274
Temperature: 1.350000
Total energy: -106.921514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.921514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.921514 (E_RNA)
where:
Base-Base interactions energy: -44.841
where: short stacking energy: -44.841
Base-Backbone interact. energy: 1.866
local terms energy: -63.946861
where:
bonds (distance) C4'-P energy: -16.280
bonds (distance) P-C4' energy: -16.058
flat angles C4'-P-C4' energy: -17.846
flat angles P-C4'-P energy: -8.479
tors. eta vs tors. theta energy: -5.285
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 275
Temperature: 0.900000
Total energy: -335.931154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.931154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.931154 (E_RNA)
where:
Base-Base interactions energy: -234.560
where: short stacking energy: -97.029
Base-Backbone interact. energy: 1.188
local terms energy: -102.558827
where:
bonds (distance) C4'-P energy: -17.969
bonds (distance) P-C4' energy: -20.468
flat angles C4'-P-C4' energy: -21.032
flat angles P-C4'-P energy: -16.567
tors. eta vs tors. theta energy: -26.523
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 275
Temperature: 0.950000
Total energy: -292.231946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.231946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.231946 (E_RNA)
where:
Base-Base interactions energy: -199.902
where: short stacking energy: -90.711
Base-Backbone interact. energy: 0.113
local terms energy: -92.443214
where:
bonds (distance) C4'-P energy: -21.339
bonds (distance) P-C4' energy: -20.019
flat angles C4'-P-C4' energy: -17.538
flat angles P-C4'-P energy: -12.119
tors. eta vs tors. theta energy: -21.428
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 275
Temperature: 1.000000
Total energy: -267.467058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.467058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.467058 (E_RNA)
where:
Base-Base interactions energy: -172.022
where: short stacking energy: -76.190
Base-Backbone interact. energy: -1.045
local terms energy: -94.399999
where:
bonds (distance) C4'-P energy: -16.321
bonds (distance) P-C4' energy: -22.635
flat angles C4'-P-C4' energy: -22.177
flat angles P-C4'-P energy: -12.724
tors. eta vs tors. theta energy: -20.543
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 275
Temperature: 1.050000
Total energy: -257.933914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.933914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.933914 (E_RNA)
where:
Base-Base interactions energy: -169.129
where: short stacking energy: -84.727
Base-Backbone interact. energy: -0.080
local terms energy: -88.724222
where:
bonds (distance) C4'-P energy: -18.811
bonds (distance) P-C4' energy: -21.774
flat angles C4'-P-C4' energy: -20.599
flat angles P-C4'-P energy: -13.522
tors. eta vs tors. theta energy: -14.019
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 275
Temperature: 1.100000
Total energy: -272.339418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.339418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.339418 (E_RNA)
where:
Base-Base interactions energy: -192.337
where: short stacking energy: -94.364
Base-Backbone interact. energy: -0.305
local terms energy: -79.697154
where:
bonds (distance) C4'-P energy: -17.393
bonds (distance) P-C4' energy: -18.482
flat angles C4'-P-C4' energy: -20.548
flat angles P-C4'-P energy: -5.822
tors. eta vs tors. theta energy: -17.453
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 275
Temperature: 1.150000
Total energy: -253.460836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.460836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.460836 (E_RNA)
where:
Base-Base interactions energy: -165.350
where: short stacking energy: -75.607
Base-Backbone interact. energy: -0.819
local terms energy: -87.292102
where:
bonds (distance) C4'-P energy: -18.429
bonds (distance) P-C4' energy: -17.928
flat angles C4'-P-C4' energy: -17.805
flat angles P-C4'-P energy: -13.550
tors. eta vs tors. theta energy: -19.580
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 275
Temperature: 1.200000
Total energy: -225.047648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.047648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.047648 (E_RNA)
where:
Base-Base interactions energy: -143.641
where: short stacking energy: -79.643
Base-Backbone interact. energy: -0.212
local terms energy: -81.194802
where:
bonds (distance) C4'-P energy: -14.214
bonds (distance) P-C4' energy: -17.488
flat angles C4'-P-C4' energy: -18.481
flat angles P-C4'-P energy: -13.178
tors. eta vs tors. theta energy: -17.835
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 275
Temperature: 1.250000
Total energy: -213.831273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.831273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.831273 (E_RNA)
where:
Base-Base interactions energy: -133.532
where: short stacking energy: -72.492
Base-Backbone interact. energy: -0.193
local terms energy: -80.107110
where:
bonds (distance) C4'-P energy: -17.008
bonds (distance) P-C4' energy: -17.748
flat angles C4'-P-C4' energy: -17.886
flat angles P-C4'-P energy: -13.786
tors. eta vs tors. theta energy: -13.680
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 275
Temperature: 1.300000
Total energy: -109.638660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.638660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.638660 (E_RNA)
where:
Base-Base interactions energy: -49.236
where: short stacking energy: -40.511
Base-Backbone interact. energy: -0.398
local terms energy: -60.004560
where:
bonds (distance) C4'-P energy: -19.972
bonds (distance) P-C4' energy: -18.487
flat angles C4'-P-C4' energy: -14.837
flat angles P-C4'-P energy: -5.503
tors. eta vs tors. theta energy: -1.205
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 275
Temperature: 1.350000
Total energy: -102.005629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.005629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.005629 (E_RNA)
where:
Base-Base interactions energy: -47.147
where: short stacking energy: -35.073
Base-Backbone interact. energy: -0.608
local terms energy: -54.251007
where:
bonds (distance) C4'-P energy: -18.974
bonds (distance) P-C4' energy: -18.725
flat angles C4'-P-C4' energy: -12.835
flat angles P-C4'-P energy: -6.283
tors. eta vs tors. theta energy: 2.566
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 276
Temperature: 0.900000
Total energy: -337.742088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.742088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.742088 (E_RNA)
where:
Base-Base interactions energy: -236.951
where: short stacking energy: -96.800
Base-Backbone interact. energy: -0.445
local terms energy: -100.346359
where:
bonds (distance) C4'-P energy: -17.800
bonds (distance) P-C4' energy: -20.909
flat angles C4'-P-C4' energy: -20.935
flat angles P-C4'-P energy: -16.292
tors. eta vs tors. theta energy: -24.411
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 276
Temperature: 0.950000
Total energy: -284.776748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.776748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.776748 (E_RNA)
where:
Base-Base interactions energy: -192.849
where: short stacking energy: -90.523
Base-Backbone interact. energy: -1.500
local terms energy: -90.427209
where:
bonds (distance) C4'-P energy: -13.369
bonds (distance) P-C4' energy: -18.403
flat angles C4'-P-C4' energy: -19.869
flat angles P-C4'-P energy: -15.143
tors. eta vs tors. theta energy: -23.643
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 276
Temperature: 1.000000
Total energy: -261.555145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.555145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.555145 (E_RNA)
where:
Base-Base interactions energy: -160.060
where: short stacking energy: -75.038
Base-Backbone interact. energy: -0.397
local terms energy: -101.099034
where:
bonds (distance) C4'-P energy: -21.915
bonds (distance) P-C4' energy: -21.979
flat angles C4'-P-C4' energy: -20.494
flat angles P-C4'-P energy: -15.234
tors. eta vs tors. theta energy: -21.478
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 276
Temperature: 1.050000
Total energy: -268.409767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.409767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.409767 (E_RNA)
where:
Base-Base interactions energy: -186.013
where: short stacking energy: -84.046
Base-Backbone interact. energy: -0.013
local terms energy: -82.383465
where:
bonds (distance) C4'-P energy: -16.560
bonds (distance) P-C4' energy: -14.578
flat angles C4'-P-C4' energy: -17.023
flat angles P-C4'-P energy: -13.058
tors. eta vs tors. theta energy: -21.166
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 276
Temperature: 1.100000
Total energy: -271.937711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.937711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.937711 (E_RNA)
where:
Base-Base interactions energy: -183.651
where: short stacking energy: -88.600
Base-Backbone interact. energy: -1.377
local terms energy: -86.908830
where:
bonds (distance) C4'-P energy: -15.253
bonds (distance) P-C4' energy: -18.696
flat angles C4'-P-C4' energy: -20.511
flat angles P-C4'-P energy: -11.898
tors. eta vs tors. theta energy: -20.551
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 276
Temperature: 1.150000
Total energy: -272.107955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.107955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.107955 (E_RNA)
where:
Base-Base interactions energy: -182.466
where: short stacking energy: -73.540
Base-Backbone interact. energy: -0.976
local terms energy: -88.665613
where:
bonds (distance) C4'-P energy: -21.218
bonds (distance) P-C4' energy: -17.232
flat angles C4'-P-C4' energy: -19.943
flat angles P-C4'-P energy: -11.057
tors. eta vs tors. theta energy: -19.215
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 276
Temperature: 1.200000
Total energy: -208.675999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.675999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.675999 (E_RNA)
where:
Base-Base interactions energy: -122.613
where: short stacking energy: -68.539
Base-Backbone interact. energy: -0.053
local terms energy: -86.010730
where:
bonds (distance) C4'-P energy: -14.347
bonds (distance) P-C4' energy: -19.395
flat angles C4'-P-C4' energy: -21.650
flat angles P-C4'-P energy: -11.637
tors. eta vs tors. theta energy: -18.982
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 276
Temperature: 1.250000
Total energy: -213.134848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.134848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.134848 (E_RNA)
where:
Base-Base interactions energy: -146.646
where: short stacking energy: -58.170
Base-Backbone interact. energy: -0.150
local terms energy: -66.338810
where:
bonds (distance) C4'-P energy: -17.773
bonds (distance) P-C4' energy: -19.851
flat angles C4'-P-C4' energy: -4.301
flat angles P-C4'-P energy: -13.160
tors. eta vs tors. theta energy: -11.253
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 276
Temperature: 1.300000
Total energy: -119.696060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.696060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.696060 (E_RNA)
where:
Base-Base interactions energy: -52.386
where: short stacking energy: -52.386
Base-Backbone interact. energy: -0.105
local terms energy: -67.205657
where:
bonds (distance) C4'-P energy: -10.277
bonds (distance) P-C4' energy: -21.027
flat angles C4'-P-C4' energy: -20.989
flat angles P-C4'-P energy: -6.856
tors. eta vs tors. theta energy: -8.057
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 276
Temperature: 1.350000
Total energy: -110.246166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.246166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.246166 (E_RNA)
where:
Base-Base interactions energy: -51.804
where: short stacking energy: -33.956
Base-Backbone interact. energy: 0.681
local terms energy: -59.123659
where:
bonds (distance) C4'-P energy: -20.484
bonds (distance) P-C4' energy: -18.849
flat angles C4'-P-C4' energy: -13.567
flat angles P-C4'-P energy: -2.436
tors. eta vs tors. theta energy: -3.787
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 277
Temperature: 0.900000
Total energy: -338.836317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.836317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.836317 (E_RNA)
where:
Base-Base interactions energy: -239.552
where: short stacking energy: -98.551
Base-Backbone interact. energy: -0.167
local terms energy: -99.116939
where:
bonds (distance) C4'-P energy: -18.444
bonds (distance) P-C4' energy: -16.828
flat angles C4'-P-C4' energy: -21.731
flat angles P-C4'-P energy: -17.844
tors. eta vs tors. theta energy: -24.270
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 277
Temperature: 0.950000
Total energy: -290.935305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.935305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.935305 (E_RNA)
where:
Base-Base interactions energy: -192.311
where: short stacking energy: -95.095
Base-Backbone interact. energy: -0.278
local terms energy: -98.346431
where:
bonds (distance) C4'-P energy: -20.642
bonds (distance) P-C4' energy: -21.730
flat angles C4'-P-C4' energy: -21.671
flat angles P-C4'-P energy: -11.132
tors. eta vs tors. theta energy: -23.171
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 277
Temperature: 1.000000
Total energy: -258.924788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.924788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.924788 (E_RNA)
where:
Base-Base interactions energy: -169.193
where: short stacking energy: -78.269
Base-Backbone interact. energy: -0.005
local terms energy: -89.727037
where:
bonds (distance) C4'-P energy: -17.541
bonds (distance) P-C4' energy: -22.026
flat angles C4'-P-C4' energy: -19.542
flat angles P-C4'-P energy: -12.625
tors. eta vs tors. theta energy: -17.992
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 277
Temperature: 1.050000
Total energy: -280.672288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.672288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.672288 (E_RNA)
where:
Base-Base interactions energy: -181.695
where: short stacking energy: -83.104
Base-Backbone interact. energy: -0.019
local terms energy: -98.958416
where:
bonds (distance) C4'-P energy: -16.072
bonds (distance) P-C4' energy: -20.542
flat angles C4'-P-C4' energy: -22.767
flat angles P-C4'-P energy: -17.198
tors. eta vs tors. theta energy: -22.380
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 277
Temperature: 1.100000
Total energy: -292.536511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.536511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.536511 (E_RNA)
where:
Base-Base interactions energy: -193.631
where: short stacking energy: -90.698
Base-Backbone interact. energy: -2.495
local terms energy: -96.410135
where:
bonds (distance) C4'-P energy: -20.423
bonds (distance) P-C4' energy: -20.225
flat angles C4'-P-C4' energy: -19.072
flat angles P-C4'-P energy: -12.506
tors. eta vs tors. theta energy: -24.183
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 277
Temperature: 1.150000
Total energy: -286.871354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.871354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.871354 (E_RNA)
where:
Base-Base interactions energy: -197.134
where: short stacking energy: -83.847
Base-Backbone interact. energy: -0.140
local terms energy: -89.597269
where:
bonds (distance) C4'-P energy: -16.921
bonds (distance) P-C4' energy: -21.042
flat angles C4'-P-C4' energy: -16.907
flat angles P-C4'-P energy: -9.925
tors. eta vs tors. theta energy: -24.804
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 277
Temperature: 1.200000
Total energy: -233.374418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.374418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.374418 (E_RNA)
where:
Base-Base interactions energy: -150.116
where: short stacking energy: -72.585
Base-Backbone interact. energy: -0.004
local terms energy: -83.254580
where:
bonds (distance) C4'-P energy: -15.680
bonds (distance) P-C4' energy: -19.162
flat angles C4'-P-C4' energy: -19.168
flat angles P-C4'-P energy: -11.242
tors. eta vs tors. theta energy: -18.002
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 277
Temperature: 1.250000
Total energy: -189.497135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.497135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.497135 (E_RNA)
where:
Base-Base interactions energy: -119.368
where: short stacking energy: -58.656
Base-Backbone interact. energy: 0.767
local terms energy: -70.896826
where:
bonds (distance) C4'-P energy: -18.875
bonds (distance) P-C4' energy: -20.996
flat angles C4'-P-C4' energy: -15.206
flat angles P-C4'-P energy: -4.356
tors. eta vs tors. theta energy: -11.463
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 277
Temperature: 1.300000
Total energy: -111.444398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.444398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.444398 (E_RNA)
where:
Base-Base interactions energy: -44.494
where: short stacking energy: -30.852
Base-Backbone interact. energy: -0.100
local terms energy: -66.849572
where:
bonds (distance) C4'-P energy: -15.220
bonds (distance) P-C4' energy: -16.395
flat angles C4'-P-C4' energy: -20.848
flat angles P-C4'-P energy: -10.091
tors. eta vs tors. theta energy: -4.296
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 277
Temperature: 1.350000
Total energy: -104.971522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.971522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.971522 (E_RNA)
where:
Base-Base interactions energy: -40.459
where: short stacking energy: -38.569
Base-Backbone interact. energy: -0.362
local terms energy: -64.150412
where:
bonds (distance) C4'-P energy: -16.134
bonds (distance) P-C4' energy: -19.208
flat angles C4'-P-C4' energy: -14.650
flat angles P-C4'-P energy: -10.404
tors. eta vs tors. theta energy: -3.755
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 278
Temperature: 0.900000
Total energy: -336.558484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.558484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.558484 (E_RNA)
where:
Base-Base interactions energy: -235.301
where: short stacking energy: -88.098
Base-Backbone interact. energy: -0.314
local terms energy: -100.943139
where:
bonds (distance) C4'-P energy: -15.919
bonds (distance) P-C4' energy: -22.084
flat angles C4'-P-C4' energy: -22.158
flat angles P-C4'-P energy: -16.986
tors. eta vs tors. theta energy: -23.796
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 278
Temperature: 0.950000
Total energy: -286.774361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.774361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.774361 (E_RNA)
where:
Base-Base interactions energy: -190.570
where: short stacking energy: -80.245
Base-Backbone interact. energy: -0.279
local terms energy: -95.925169
where:
bonds (distance) C4'-P energy: -19.642
bonds (distance) P-C4' energy: -18.940
flat angles C4'-P-C4' energy: -22.772
flat angles P-C4'-P energy: -9.289
tors. eta vs tors. theta energy: -25.283
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 278
Temperature: 1.000000
Total energy: -284.902362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.902362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.902362 (E_RNA)
where:
Base-Base interactions energy: -200.280
where: short stacking energy: -94.901
Base-Backbone interact. energy: -0.281
local terms energy: -84.341429
where:
bonds (distance) C4'-P energy: -17.016
bonds (distance) P-C4' energy: -19.653
flat angles C4'-P-C4' energy: -16.137
flat angles P-C4'-P energy: -11.041
tors. eta vs tors. theta energy: -20.495
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 278
Temperature: 1.050000
Total energy: -244.412733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.412733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.412733 (E_RNA)
where:
Base-Base interactions energy: -156.479
where: short stacking energy: -80.667
Base-Backbone interact. energy: -0.596
local terms energy: -87.337899
where:
bonds (distance) C4'-P energy: -17.197
bonds (distance) P-C4' energy: -17.138
flat angles C4'-P-C4' energy: -19.463
flat angles P-C4'-P energy: -15.191
tors. eta vs tors. theta energy: -18.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 278
Temperature: 1.100000
Total energy: -284.700659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.700659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.700659 (E_RNA)
where:
Base-Base interactions energy: -194.955
where: short stacking energy: -83.036
Base-Backbone interact. energy: -0.521
local terms energy: -89.224665
where:
bonds (distance) C4'-P energy: -17.577
bonds (distance) P-C4' energy: -20.110
flat angles C4'-P-C4' energy: -18.527
flat angles P-C4'-P energy: -13.979
tors. eta vs tors. theta energy: -19.032
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 278
Temperature: 1.150000
Total energy: -281.141626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.141626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.141626 (E_RNA)
where:
Base-Base interactions energy: -189.500
where: short stacking energy: -73.523
Base-Backbone interact. energy: -0.451
local terms energy: -91.191340
where:
bonds (distance) C4'-P energy: -16.946
bonds (distance) P-C4' energy: -19.676
flat angles C4'-P-C4' energy: -16.429
flat angles P-C4'-P energy: -17.342
tors. eta vs tors. theta energy: -20.798
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 278
Temperature: 1.200000
Total energy: -214.123057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.123057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.123057 (E_RNA)
where:
Base-Base interactions energy: -128.506
where: short stacking energy: -66.935
Base-Backbone interact. energy: -0.182
local terms energy: -85.434623
where:
bonds (distance) C4'-P energy: -16.487
bonds (distance) P-C4' energy: -18.571
flat angles C4'-P-C4' energy: -18.875
flat angles P-C4'-P energy: -14.498
tors. eta vs tors. theta energy: -17.004
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 278
Temperature: 1.250000
Total energy: -234.578442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.578442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.578442 (E_RNA)
where:
Base-Base interactions energy: -148.164
where: short stacking energy: -78.792
Base-Backbone interact. energy: -0.139
local terms energy: -86.275170
where:
bonds (distance) C4'-P energy: -15.452
bonds (distance) P-C4' energy: -20.834
flat angles C4'-P-C4' energy: -14.689
flat angles P-C4'-P energy: -17.455
tors. eta vs tors. theta energy: -17.846
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 278
Temperature: 1.300000
Total energy: -113.461061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.461061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.461061 (E_RNA)
where:
Base-Base interactions energy: -55.749
where: short stacking energy: -45.987
Base-Backbone interact. energy: -0.098
local terms energy: -57.614325
where:
bonds (distance) C4'-P energy: -15.115
bonds (distance) P-C4' energy: -19.283
flat angles C4'-P-C4' energy: -15.539
flat angles P-C4'-P energy: -2.528
tors. eta vs tors. theta energy: -5.149
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 278
Temperature: 1.350000
Total energy: -107.461726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.461726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.461726 (E_RNA)
where:
Base-Base interactions energy: -39.947
where: short stacking energy: -35.858
Base-Backbone interact. energy: -0.178
local terms energy: -67.336495
where:
bonds (distance) C4'-P energy: -22.738
bonds (distance) P-C4' energy: -13.611
flat angles C4'-P-C4' energy: -15.541
flat angles P-C4'-P energy: -11.031
tors. eta vs tors. theta energy: -4.415
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 279
Temperature: 0.900000
Total energy: -339.166953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.166953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.166953 (E_RNA)
where:
Base-Base interactions energy: -233.896
where: short stacking energy: -93.596
Base-Backbone interact. energy: -0.434
local terms energy: -104.836792
where:
bonds (distance) C4'-P energy: -19.311
bonds (distance) P-C4' energy: -22.756
flat angles C4'-P-C4' energy: -20.876
flat angles P-C4'-P energy: -15.525
tors. eta vs tors. theta energy: -26.369
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 279
Temperature: 0.950000
Total energy: -290.488503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.488503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.488503 (E_RNA)
where:
Base-Base interactions energy: -193.439
where: short stacking energy: -92.013
Base-Backbone interact. energy: -0.255
local terms energy: -96.794151
where:
bonds (distance) C4'-P energy: -16.768
bonds (distance) P-C4' energy: -19.523
flat angles C4'-P-C4' energy: -21.979
flat angles P-C4'-P energy: -14.190
tors. eta vs tors. theta energy: -24.334
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 279
Temperature: 1.000000
Total energy: -294.383072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.383072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.383072 (E_RNA)
where:
Base-Base interactions energy: -198.735
where: short stacking energy: -105.068
Base-Backbone interact. energy: -0.111
local terms energy: -95.536557
where:
bonds (distance) C4'-P energy: -16.278
bonds (distance) P-C4' energy: -15.776
flat angles C4'-P-C4' energy: -21.457
flat angles P-C4'-P energy: -15.344
tors. eta vs tors. theta energy: -26.681
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 279
Temperature: 1.050000
Total energy: -295.709149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.709149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.709149 (E_RNA)
where:
Base-Base interactions energy: -204.900
where: short stacking energy: -93.140
Base-Backbone interact. energy: -0.288
local terms energy: -90.520779
where:
bonds (distance) C4'-P energy: -18.938
bonds (distance) P-C4' energy: -18.766
flat angles C4'-P-C4' energy: -16.149
flat angles P-C4'-P energy: -13.754
tors. eta vs tors. theta energy: -22.914
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 279
Temperature: 1.100000
Total energy: -242.296192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.296192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.296192 (E_RNA)
where:
Base-Base interactions energy: -155.390
where: short stacking energy: -73.991
Base-Backbone interact. energy: -0.189
local terms energy: -86.717266
where:
bonds (distance) C4'-P energy: -18.752
bonds (distance) P-C4' energy: -20.672
flat angles C4'-P-C4' energy: -20.500
flat angles P-C4'-P energy: -11.069
tors. eta vs tors. theta energy: -15.723
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 279
Temperature: 1.150000
Total energy: -283.258419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.258419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.258419 (E_RNA)
where:
Base-Base interactions energy: -193.872
where: short stacking energy: -92.936
Base-Backbone interact. energy: -0.155
local terms energy: -89.230929
where:
bonds (distance) C4'-P energy: -17.624
bonds (distance) P-C4' energy: -18.133
flat angles C4'-P-C4' energy: -19.882
flat angles P-C4'-P energy: -11.270
tors. eta vs tors. theta energy: -22.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 279
Temperature: 1.200000
Total energy: -226.753526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.753526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.753526 (E_RNA)
where:
Base-Base interactions energy: -144.632
where: short stacking energy: -66.995
Base-Backbone interact. energy: -0.080
local terms energy: -82.041632
where:
bonds (distance) C4'-P energy: -14.740
bonds (distance) P-C4' energy: -20.071
flat angles C4'-P-C4' energy: -19.056
flat angles P-C4'-P energy: -9.665
tors. eta vs tors. theta energy: -18.509
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 279
Temperature: 1.250000
Total energy: -187.926718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.926718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.926718 (E_RNA)
where:
Base-Base interactions energy: -113.766
where: short stacking energy: -57.994
Base-Backbone interact. energy: -0.157
local terms energy: -74.003970
where:
bonds (distance) C4'-P energy: -13.863
bonds (distance) P-C4' energy: -17.576
flat angles C4'-P-C4' energy: -18.314
flat angles P-C4'-P energy: -13.789
tors. eta vs tors. theta energy: -10.462
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 279
Temperature: 1.300000
Total energy: -111.432632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.432632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.432632 (E_RNA)
where:
Base-Base interactions energy: -54.927
where: short stacking energy: -54.927
Base-Backbone interact. energy: -0.011
local terms energy: -56.494203
where:
bonds (distance) C4'-P energy: -13.734
bonds (distance) P-C4' energy: -17.441
flat angles C4'-P-C4' energy: -16.978
flat angles P-C4'-P energy: 0.417
tors. eta vs tors. theta energy: -8.759
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 279
Temperature: 1.350000
Total energy: -95.824515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.824515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.824515 (E_RNA)
where:
Base-Base interactions energy: -40.666
where: short stacking energy: -35.849
Base-Backbone interact. energy: -0.329
local terms energy: -54.830110
where:
bonds (distance) C4'-P energy: -13.622
bonds (distance) P-C4' energy: -18.558
flat angles C4'-P-C4' energy: -12.403
flat angles P-C4'-P energy: -8.802
tors. eta vs tors. theta energy: -1.444
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 280
Temperature: 0.900000
Total energy: -344.948272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.948272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.948272 (E_RNA)
where:
Base-Base interactions energy: -243.589
where: short stacking energy: -92.653
Base-Backbone interact. energy: -0.596
local terms energy: -100.762763
where:
bonds (distance) C4'-P energy: -19.993
bonds (distance) P-C4' energy: -21.488
flat angles C4'-P-C4' energy: -23.028
flat angles P-C4'-P energy: -11.978
tors. eta vs tors. theta energy: -24.275
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 280
Temperature: 0.950000
Total energy: -291.707910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.707910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.707910 (E_RNA)
where:
Base-Base interactions energy: -193.989
where: short stacking energy: -94.019
Base-Backbone interact. energy: 0.125
local terms energy: -97.843409
where:
bonds (distance) C4'-P energy: -19.190
bonds (distance) P-C4' energy: -23.054
flat angles C4'-P-C4' energy: -20.291
flat angles P-C4'-P energy: -10.494
tors. eta vs tors. theta energy: -24.815
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 280
Temperature: 1.000000
Total energy: -299.080485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.080485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.080485 (E_RNA)
where:
Base-Base interactions energy: -198.091
where: short stacking energy: -96.519
Base-Backbone interact. energy: 0.771
local terms energy: -101.760269
where:
bonds (distance) C4'-P energy: -19.203
bonds (distance) P-C4' energy: -17.579
flat angles C4'-P-C4' energy: -22.688
flat angles P-C4'-P energy: -15.540
tors. eta vs tors. theta energy: -26.750
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 280
Temperature: 1.050000
Total energy: -290.362595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.362595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.362595 (E_RNA)
where:
Base-Base interactions energy: -200.970
where: short stacking energy: -81.478
Base-Backbone interact. energy: -0.802
local terms energy: -88.590581
where:
bonds (distance) C4'-P energy: -19.143
bonds (distance) P-C4' energy: -17.552
flat angles C4'-P-C4' energy: -20.586
flat angles P-C4'-P energy: -13.485
tors. eta vs tors. theta energy: -17.824
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 280
Temperature: 1.100000
Total energy: -257.175206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.175206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.175206 (E_RNA)
where:
Base-Base interactions energy: -168.617
where: short stacking energy: -80.221
Base-Backbone interact. energy: -0.178
local terms energy: -88.379688
where:
bonds (distance) C4'-P energy: -17.960
bonds (distance) P-C4' energy: -22.409
flat angles C4'-P-C4' energy: -14.673
flat angles P-C4'-P energy: -14.851
tors. eta vs tors. theta energy: -18.487
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 280
Temperature: 1.150000
Total energy: -247.692782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.692782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.692782 (E_RNA)
where:
Base-Base interactions energy: -160.210
where: short stacking energy: -78.278
Base-Backbone interact. energy: 0.021
local terms energy: -87.503618
where:
bonds (distance) C4'-P energy: -17.719
bonds (distance) P-C4' energy: -20.888
flat angles C4'-P-C4' energy: -16.359
flat angles P-C4'-P energy: -17.257
tors. eta vs tors. theta energy: -15.280
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 280
Temperature: 1.200000
Total energy: -207.786915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.786915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.786915 (E_RNA)
where:
Base-Base interactions energy: -124.110
where: short stacking energy: -63.005
Base-Backbone interact. energy: -0.582
local terms energy: -83.094654
where:
bonds (distance) C4'-P energy: -18.623
bonds (distance) P-C4' energy: -21.516
flat angles C4'-P-C4' energy: -15.509
flat angles P-C4'-P energy: -12.948
tors. eta vs tors. theta energy: -14.499
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 280
Temperature: 1.250000
Total energy: -193.454551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.454551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.454551 (E_RNA)
where:
Base-Base interactions energy: -120.068
where: short stacking energy: -69.693
Base-Backbone interact. energy: -0.158
local terms energy: -73.227760
where:
bonds (distance) C4'-P energy: -17.528
bonds (distance) P-C4' energy: -14.845
flat angles C4'-P-C4' energy: -16.911
flat angles P-C4'-P energy: -11.825
tors. eta vs tors. theta energy: -12.119
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 280
Temperature: 1.300000
Total energy: -108.267167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.267167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.267167 (E_RNA)
where:
Base-Base interactions energy: -46.108
where: short stacking energy: -33.439
Base-Backbone interact. energy: -0.218
local terms energy: -61.941480
where:
bonds (distance) C4'-P energy: -17.688
bonds (distance) P-C4' energy: -17.401
flat angles C4'-P-C4' energy: -18.100
flat angles P-C4'-P energy: -10.863
tors. eta vs tors. theta energy: 2.109
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 280
Temperature: 1.350000
Total energy: -101.598739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.598739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.598739 (E_RNA)
where:
Base-Base interactions energy: -46.336
where: short stacking energy: -35.084
Base-Backbone interact. energy: -0.048
local terms energy: -55.214489
where:
bonds (distance) C4'-P energy: -17.083
bonds (distance) P-C4' energy: -13.907
flat angles C4'-P-C4' energy: -13.156
flat angles P-C4'-P energy: -11.239
tors. eta vs tors. theta energy: 0.171
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 281
Temperature: 0.900000
Total energy: -353.440226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.440226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.440226 (E_RNA)
where:
Base-Base interactions energy: -246.208
where: short stacking energy: -101.954
Base-Backbone interact. energy: -0.606
local terms energy: -106.625980
where:
bonds (distance) C4'-P energy: -21.822
bonds (distance) P-C4' energy: -18.704
flat angles C4'-P-C4' energy: -22.657
flat angles P-C4'-P energy: -17.454
tors. eta vs tors. theta energy: -25.989
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 281
Temperature: 0.950000
Total energy: -295.750513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.750513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.750513 (E_RNA)
where:
Base-Base interactions energy: -195.284
where: short stacking energy: -94.917
Base-Backbone interact. energy: -0.009
local terms energy: -100.456588
where:
bonds (distance) C4'-P energy: -18.100
bonds (distance) P-C4' energy: -20.182
flat angles C4'-P-C4' energy: -23.026
flat angles P-C4'-P energy: -13.354
tors. eta vs tors. theta energy: -25.795
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 281
Temperature: 1.000000
Total energy: -291.675940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.675940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.675940 (E_RNA)
where:
Base-Base interactions energy: -200.530
where: short stacking energy: -93.725
Base-Backbone interact. energy: -0.093
local terms energy: -91.053333
where:
bonds (distance) C4'-P energy: -14.669
bonds (distance) P-C4' energy: -18.668
flat angles C4'-P-C4' energy: -20.202
flat angles P-C4'-P energy: -15.300
tors. eta vs tors. theta energy: -22.214
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 281
Temperature: 1.050000
Total energy: -298.486769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.486769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.486769 (E_RNA)
where:
Base-Base interactions energy: -216.425
where: short stacking energy: -90.121
Base-Backbone interact. energy: -1.350
local terms energy: -80.711438
where:
bonds (distance) C4'-P energy: -16.993
bonds (distance) P-C4' energy: -16.422
flat angles C4'-P-C4' energy: -14.780
flat angles P-C4'-P energy: -12.230
tors. eta vs tors. theta energy: -20.287
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 281
Temperature: 1.100000
Total energy: -285.975598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.975598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.975598 (E_RNA)
where:
Base-Base interactions energy: -187.870
where: short stacking energy: -87.295
Base-Backbone interact. energy: -0.516
local terms energy: -97.589622
where:
bonds (distance) C4'-P energy: -18.663
bonds (distance) P-C4' energy: -17.451
flat angles C4'-P-C4' energy: -17.503
flat angles P-C4'-P energy: -17.123
tors. eta vs tors. theta energy: -26.850
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 281
Temperature: 1.150000
Total energy: -200.396656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.396656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.396656 (E_RNA)
where:
Base-Base interactions energy: -124.042
where: short stacking energy: -63.692
Base-Backbone interact. energy: -0.446
local terms energy: -75.909507
where:
bonds (distance) C4'-P energy: -16.020
bonds (distance) P-C4' energy: -21.405
flat angles C4'-P-C4' energy: -15.541
flat angles P-C4'-P energy: -15.403
tors. eta vs tors. theta energy: -7.540
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 281
Temperature: 1.200000
Total energy: -249.000046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.000046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.000046 (E_RNA)
where:
Base-Base interactions energy: -168.996
where: short stacking energy: -81.165
Base-Backbone interact. energy: -0.452
local terms energy: -79.552433
where:
bonds (distance) C4'-P energy: -12.921
bonds (distance) P-C4' energy: -20.535
flat angles C4'-P-C4' energy: -19.910
flat angles P-C4'-P energy: -9.892
tors. eta vs tors. theta energy: -16.294
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 281
Temperature: 1.250000
Total energy: -216.229927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.229927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.229927 (E_RNA)
where:
Base-Base interactions energy: -141.486
where: short stacking energy: -61.277
Base-Backbone interact. energy: -0.549
local terms energy: -74.195484
where:
bonds (distance) C4'-P energy: -9.353
bonds (distance) P-C4' energy: -19.808
flat angles C4'-P-C4' energy: -19.195
flat angles P-C4'-P energy: -13.766
tors. eta vs tors. theta energy: -12.074
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 281
Temperature: 1.300000
Total energy: -116.457046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.457046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.457046 (E_RNA)
where:
Base-Base interactions energy: -60.492
where: short stacking energy: -45.409
Base-Backbone interact. energy: 0.083
local terms energy: -56.048248
where:
bonds (distance) C4'-P energy: -17.408
bonds (distance) P-C4' energy: -19.931
flat angles C4'-P-C4' energy: -10.763
flat angles P-C4'-P energy: -6.051
tors. eta vs tors. theta energy: -1.895
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 281
Temperature: 1.350000
Total energy: -103.850973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.850973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.850973 (E_RNA)
where:
Base-Base interactions energy: -41.559
where: short stacking energy: -41.559
Base-Backbone interact. energy: -0.860
local terms energy: -61.431749
where:
bonds (distance) C4'-P energy: -13.300
bonds (distance) P-C4' energy: -20.421
flat angles C4'-P-C4' energy: -14.784
flat angles P-C4'-P energy: -9.673
tors. eta vs tors. theta energy: -3.254
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 282
Temperature: 0.900000
Total energy: -349.356711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.356711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.356711 (E_RNA)
where:
Base-Base interactions energy: -244.255
where: short stacking energy: -94.948
Base-Backbone interact. energy: -0.796
local terms energy: -104.304835
where:
bonds (distance) C4'-P energy: -14.754
bonds (distance) P-C4' energy: -21.909
flat angles C4'-P-C4' energy: -22.608
flat angles P-C4'-P energy: -19.357
tors. eta vs tors. theta energy: -25.676
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 282
Temperature: 0.950000
Total energy: -291.535146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.535146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.535146 (E_RNA)
where:
Base-Base interactions energy: -195.301
where: short stacking energy: -95.796
Base-Backbone interact. energy: -0.285
local terms energy: -95.948880
where:
bonds (distance) C4'-P energy: -22.581
bonds (distance) P-C4' energy: -14.533
flat angles C4'-P-C4' energy: -21.276
flat angles P-C4'-P energy: -16.271
tors. eta vs tors. theta energy: -21.289
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 282
Temperature: 1.000000
Total energy: -321.280825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.280825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.280825 (E_RNA)
where:
Base-Base interactions energy: -230.727
where: short stacking energy: -86.354
Base-Backbone interact. energy: -0.327
local terms energy: -90.227052
where:
bonds (distance) C4'-P energy: -20.797
bonds (distance) P-C4' energy: -20.259
flat angles C4'-P-C4' energy: -18.435
flat angles P-C4'-P energy: -6.950
tors. eta vs tors. theta energy: -23.786
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 282
Temperature: 1.050000
Total energy: -286.159969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.159969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.159969 (E_RNA)
where:
Base-Base interactions energy: -194.024
where: short stacking energy: -92.089
Base-Backbone interact. energy: -0.190
local terms energy: -91.945965
where:
bonds (distance) C4'-P energy: -20.481
bonds (distance) P-C4' energy: -16.762
flat angles C4'-P-C4' energy: -19.911
flat angles P-C4'-P energy: -10.064
tors. eta vs tors. theta energy: -24.729
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 282
Temperature: 1.100000
Total energy: -287.960884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.960884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.960884 (E_RNA)
where:
Base-Base interactions energy: -193.987
where: short stacking energy: -88.661
Base-Backbone interact. energy: 1.190
local terms energy: -95.164000
where:
bonds (distance) C4'-P energy: -14.119
bonds (distance) P-C4' energy: -20.355
flat angles C4'-P-C4' energy: -19.556
flat angles P-C4'-P energy: -13.866
tors. eta vs tors. theta energy: -27.268
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 282
Temperature: 1.150000
Total energy: -222.063817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.063817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.063817 (E_RNA)
where:
Base-Base interactions energy: -145.729
where: short stacking energy: -60.597
Base-Backbone interact. energy: -0.527
local terms energy: -75.807601
where:
bonds (distance) C4'-P energy: -22.783
bonds (distance) P-C4' energy: -20.302
flat angles C4'-P-C4' energy: -21.409
flat angles P-C4'-P energy: -6.910
tors. eta vs tors. theta energy: -4.403
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 282
Temperature: 1.200000
Total energy: -242.088669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.088669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.088669 (E_RNA)
where:
Base-Base interactions energy: -161.380
where: short stacking energy: -84.472
Base-Backbone interact. energy: -0.010
local terms energy: -80.698950
where:
bonds (distance) C4'-P energy: -19.012
bonds (distance) P-C4' energy: -22.167
flat angles C4'-P-C4' energy: -17.733
flat angles P-C4'-P energy: -1.733
tors. eta vs tors. theta energy: -20.055
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 282
Temperature: 1.250000
Total energy: -221.535290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.535290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.535290 (E_RNA)
where:
Base-Base interactions energy: -145.656
where: short stacking energy: -63.030
Base-Backbone interact. energy: -0.183
local terms energy: -75.696009
where:
bonds (distance) C4'-P energy: -20.237
bonds (distance) P-C4' energy: -15.241
flat angles C4'-P-C4' energy: -21.810
flat angles P-C4'-P energy: -7.766
tors. eta vs tors. theta energy: -10.641
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 282
Temperature: 1.300000
Total energy: -116.712805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.712805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.712805 (E_RNA)
where:
Base-Base interactions energy: -53.985
where: short stacking energy: -42.313
Base-Backbone interact. energy: -0.150
local terms energy: -62.577925
where:
bonds (distance) C4'-P energy: -15.396
bonds (distance) P-C4' energy: -21.066
flat angles C4'-P-C4' energy: -19.179
flat angles P-C4'-P energy: -5.893
tors. eta vs tors. theta energy: -1.044
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 282
Temperature: 1.350000
Total energy: -99.512580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.512580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.512580 (E_RNA)
where:
Base-Base interactions energy: -33.822
where: short stacking energy: -33.433
Base-Backbone interact. energy: -0.079
local terms energy: -65.611422
where:
bonds (distance) C4'-P energy: -16.970
bonds (distance) P-C4' energy: -20.324
flat angles C4'-P-C4' energy: -20.353
flat angles P-C4'-P energy: -5.786
tors. eta vs tors. theta energy: -2.179
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 283
Temperature: 0.900000
Total energy: -348.269137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.269137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.269137 (E_RNA)
where:
Base-Base interactions energy: -249.419
where: short stacking energy: -104.131
Base-Backbone interact. energy: -0.940
local terms energy: -97.910133
where:
bonds (distance) C4'-P energy: -18.520
bonds (distance) P-C4' energy: -17.287
flat angles C4'-P-C4' energy: -19.365
flat angles P-C4'-P energy: -16.824
tors. eta vs tors. theta energy: -25.915
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 283
Temperature: 0.950000
Total energy: -320.539328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.539328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.539328 (E_RNA)
where:
Base-Base interactions energy: -233.482
where: short stacking energy: -90.724
Base-Backbone interact. energy: -1.371
local terms energy: -85.686671
where:
bonds (distance) C4'-P energy: -15.558
bonds (distance) P-C4' energy: -17.869
flat angles C4'-P-C4' energy: -17.039
flat angles P-C4'-P energy: -11.752
tors. eta vs tors. theta energy: -23.468
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 283
Temperature: 1.000000
Total energy: -280.468509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.468509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.468509 (E_RNA)
where:
Base-Base interactions energy: -184.909
where: short stacking energy: -88.842
Base-Backbone interact. energy: -0.038
local terms energy: -95.521260
where:
bonds (distance) C4'-P energy: -20.023
bonds (distance) P-C4' energy: -21.433
flat angles C4'-P-C4' energy: -21.674
flat angles P-C4'-P energy: -10.548
tors. eta vs tors. theta energy: -21.845
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 283
Temperature: 1.050000
Total energy: -295.135546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.135546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.135546 (E_RNA)
where:
Base-Base interactions energy: -200.221
where: short stacking energy: -95.188
Base-Backbone interact. energy: -0.246
local terms energy: -94.668020
where:
bonds (distance) C4'-P energy: -16.260
bonds (distance) P-C4' energy: -18.034
flat angles C4'-P-C4' energy: -19.009
flat angles P-C4'-P energy: -14.887
tors. eta vs tors. theta energy: -26.477
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 283
Temperature: 1.100000
Total energy: -271.621252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.621252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.621252 (E_RNA)
where:
Base-Base interactions energy: -182.390
where: short stacking energy: -82.474
Base-Backbone interact. energy: -0.415
local terms energy: -88.816238
where:
bonds (distance) C4'-P energy: -17.086
bonds (distance) P-C4' energy: -17.963
flat angles C4'-P-C4' energy: -20.046
flat angles P-C4'-P energy: -15.216
tors. eta vs tors. theta energy: -18.505
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 283
Temperature: 1.150000
Total energy: -236.734035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.734035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.734035 (E_RNA)
where:
Base-Base interactions energy: -156.280
where: short stacking energy: -82.432
Base-Backbone interact. energy: -0.103
local terms energy: -80.351372
where:
bonds (distance) C4'-P energy: -17.634
bonds (distance) P-C4' energy: -14.976
flat angles C4'-P-C4' energy: -14.509
flat angles P-C4'-P energy: -13.859
tors. eta vs tors. theta energy: -19.373
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 283
Temperature: 1.200000
Total energy: -210.900658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.900658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.900658 (E_RNA)
where:
Base-Base interactions energy: -133.228
where: short stacking energy: -60.318
Base-Backbone interact. energy: -0.132
local terms energy: -77.541228
where:
bonds (distance) C4'-P energy: -17.484
bonds (distance) P-C4' energy: -20.879
flat angles C4'-P-C4' energy: -14.078
flat angles P-C4'-P energy: -9.874
tors. eta vs tors. theta energy: -15.225
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 283
Temperature: 1.250000
Total energy: -193.112566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.112566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.112566 (E_RNA)
where:
Base-Base interactions energy: -120.761
where: short stacking energy: -59.443
Base-Backbone interact. energy: -0.043
local terms energy: -72.308564
where:
bonds (distance) C4'-P energy: -14.197
bonds (distance) P-C4' energy: -19.413
flat angles C4'-P-C4' energy: -16.078
flat angles P-C4'-P energy: -12.748
tors. eta vs tors. theta energy: -9.874
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 283
Temperature: 1.300000
Total energy: -120.412453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.412453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.412453 (E_RNA)
where:
Base-Base interactions energy: -52.773
where: short stacking energy: -48.007
Base-Backbone interact. energy: 1.879
local terms energy: -69.519083
where:
bonds (distance) C4'-P energy: -15.354
bonds (distance) P-C4' energy: -22.014
flat angles C4'-P-C4' energy: -19.602
flat angles P-C4'-P energy: -9.085
tors. eta vs tors. theta energy: -3.464
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 283
Temperature: 1.350000
Total energy: -110.481238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.481238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.481238 (E_RNA)
where:
Base-Base interactions energy: -48.900
where: short stacking energy: -43.202
Base-Backbone interact. energy: -0.187
local terms energy: -61.393915
where:
bonds (distance) C4'-P energy: -19.090
bonds (distance) P-C4' energy: -14.276
flat angles C4'-P-C4' energy: -17.028
flat angles P-C4'-P energy: -5.911
tors. eta vs tors. theta energy: -5.090
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 284
Temperature: 0.900000
Total energy: -331.148233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.148233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.148233 (E_RNA)
where:
Base-Base interactions energy: -236.222
where: short stacking energy: -98.696
Base-Backbone interact. energy: -0.890
local terms energy: -94.037174
where:
bonds (distance) C4'-P energy: -14.201
bonds (distance) P-C4' energy: -20.692
flat angles C4'-P-C4' energy: -21.323
flat angles P-C4'-P energy: -12.995
tors. eta vs tors. theta energy: -24.827
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 284
Temperature: 0.950000
Total energy: -341.380261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.380261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.380261 (E_RNA)
where:
Base-Base interactions energy: -242.648
where: short stacking energy: -101.217
Base-Backbone interact. energy: -0.255
local terms energy: -98.477036
where:
bonds (distance) C4'-P energy: -21.266
bonds (distance) P-C4' energy: -17.420
flat angles C4'-P-C4' energy: -20.228
flat angles P-C4'-P energy: -14.210
tors. eta vs tors. theta energy: -25.353
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 284
Temperature: 1.000000
Total energy: -301.841218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.841218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.841218 (E_RNA)
where:
Base-Base interactions energy: -205.399
where: short stacking energy: -99.289
Base-Backbone interact. energy: -0.519
local terms energy: -95.923383
where:
bonds (distance) C4'-P energy: -15.308
bonds (distance) P-C4' energy: -17.912
flat angles C4'-P-C4' energy: -21.583
flat angles P-C4'-P energy: -13.946
tors. eta vs tors. theta energy: -27.174
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 284
Temperature: 1.050000
Total energy: -266.501566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.501566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.501566 (E_RNA)
where:
Base-Base interactions energy: -179.182
where: short stacking energy: -81.231
Base-Backbone interact. energy: -0.448
local terms energy: -86.871301
where:
bonds (distance) C4'-P energy: -15.224
bonds (distance) P-C4' energy: -18.829
flat angles C4'-P-C4' energy: -22.420
flat angles P-C4'-P energy: -12.527
tors. eta vs tors. theta energy: -17.871
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 284
Temperature: 1.100000
Total energy: -263.385363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.385363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.385363 (E_RNA)
where:
Base-Base interactions energy: -183.845
where: short stacking energy: -79.398
Base-Backbone interact. energy: -1.054
local terms energy: -78.486298
where:
bonds (distance) C4'-P energy: -18.831
bonds (distance) P-C4' energy: -17.729
flat angles C4'-P-C4' energy: -14.755
flat angles P-C4'-P energy: -9.061
tors. eta vs tors. theta energy: -18.111
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 284
Temperature: 1.150000
Total energy: -243.071480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.071480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.071480 (E_RNA)
where:
Base-Base interactions energy: -160.167
where: short stacking energy: -82.197
Base-Backbone interact. energy: -0.001
local terms energy: -82.903824
where:
bonds (distance) C4'-P energy: -16.802
bonds (distance) P-C4' energy: -19.608
flat angles C4'-P-C4' energy: -17.697
flat angles P-C4'-P energy: -9.518
tors. eta vs tors. theta energy: -19.279
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 284
Temperature: 1.200000
Total energy: -209.085052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.085052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.085052 (E_RNA)
where:
Base-Base interactions energy: -122.328
where: short stacking energy: -67.110
Base-Backbone interact. energy: -0.231
local terms energy: -86.526305
where:
bonds (distance) C4'-P energy: -20.143
bonds (distance) P-C4' energy: -21.256
flat angles C4'-P-C4' energy: -18.936
flat angles P-C4'-P energy: -12.513
tors. eta vs tors. theta energy: -13.677
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 284
Temperature: 1.250000
Total energy: -212.990374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.990374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.990374 (E_RNA)
where:
Base-Base interactions energy: -138.655
where: short stacking energy: -65.548
Base-Backbone interact. energy: 1.068
local terms energy: -75.404001
where:
bonds (distance) C4'-P energy: -16.026
bonds (distance) P-C4' energy: -14.425
flat angles C4'-P-C4' energy: -17.328
flat angles P-C4'-P energy: -16.648
tors. eta vs tors. theta energy: -10.977
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 284
Temperature: 1.300000
Total energy: -109.609580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.609580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.609580 (E_RNA)
where:
Base-Base interactions energy: -42.303
where: short stacking energy: -38.067
Base-Backbone interact. energy: -0.120
local terms energy: -67.186580
where:
bonds (distance) C4'-P energy: -19.024
bonds (distance) P-C4' energy: -18.660
flat angles C4'-P-C4' energy: -15.668
flat angles P-C4'-P energy: -7.740
tors. eta vs tors. theta energy: -6.095
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 284
Temperature: 1.350000
Total energy: -102.271729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.271729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.271729 (E_RNA)
where:
Base-Base interactions energy: -37.772
where: short stacking energy: -34.292
Base-Backbone interact. energy: -0.159
local terms energy: -64.341016
where:
bonds (distance) C4'-P energy: -21.093
bonds (distance) P-C4' energy: -20.387
flat angles C4'-P-C4' energy: -7.799
flat angles P-C4'-P energy: -10.652
tors. eta vs tors. theta energy: -4.409
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 285
Temperature: 0.900000
Total energy: -338.238283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.238283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.238283 (E_RNA)
where:
Base-Base interactions energy: -241.513
where: short stacking energy: -97.155
Base-Backbone interact. energy: -1.236
local terms energy: -95.489483
where:
bonds (distance) C4'-P energy: -15.616
bonds (distance) P-C4' energy: -18.092
flat angles C4'-P-C4' energy: -21.982
flat angles P-C4'-P energy: -14.423
tors. eta vs tors. theta energy: -25.377
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 285
Temperature: 0.950000
Total energy: -335.081504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.081504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.081504 (E_RNA)
where:
Base-Base interactions energy: -236.740
where: short stacking energy: -94.871
Base-Backbone interact. energy: -0.874
local terms energy: -97.466939
where:
bonds (distance) C4'-P energy: -21.922
bonds (distance) P-C4' energy: -18.195
flat angles C4'-P-C4' energy: -21.085
flat angles P-C4'-P energy: -12.928
tors. eta vs tors. theta energy: -23.336
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 285
Temperature: 1.000000
Total energy: -304.584379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.584379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.584379 (E_RNA)
where:
Base-Base interactions energy: -203.915
where: short stacking energy: -103.124
Base-Backbone interact. energy: -1.179
local terms energy: -99.490365
where:
bonds (distance) C4'-P energy: -17.531
bonds (distance) P-C4' energy: -18.294
flat angles C4'-P-C4' energy: -21.351
flat angles P-C4'-P energy: -16.207
tors. eta vs tors. theta energy: -26.108
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 285
Temperature: 1.050000
Total energy: -274.756483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.756483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.756483 (E_RNA)
where:
Base-Base interactions energy: -180.860
where: short stacking energy: -80.026
Base-Backbone interact. energy: -0.470
local terms energy: -93.426510
where:
bonds (distance) C4'-P energy: -17.819
bonds (distance) P-C4' energy: -20.939
flat angles C4'-P-C4' energy: -19.403
flat angles P-C4'-P energy: -14.711
tors. eta vs tors. theta energy: -20.555
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 285
Temperature: 1.100000
Total energy: -257.817432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.817432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.817432 (E_RNA)
where:
Base-Base interactions energy: -183.246
where: short stacking energy: -78.493
Base-Backbone interact. energy: -0.781
local terms energy: -73.789968
where:
bonds (distance) C4'-P energy: -14.435
bonds (distance) P-C4' energy: -12.629
flat angles C4'-P-C4' energy: -19.994
flat angles P-C4'-P energy: -7.177
tors. eta vs tors. theta energy: -19.554
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 285
Temperature: 1.150000
Total energy: -214.895853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.895853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.895853 (E_RNA)
where:
Base-Base interactions energy: -143.879
where: short stacking energy: -72.124
Base-Backbone interact. energy: -0.050
local terms energy: -70.967074
where:
bonds (distance) C4'-P energy: -14.921
bonds (distance) P-C4' energy: -12.344
flat angles C4'-P-C4' energy: -20.681
flat angles P-C4'-P energy: -9.322
tors. eta vs tors. theta energy: -13.699
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 285
Temperature: 1.200000
Total energy: -236.696303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.696303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.696303 (E_RNA)
where:
Base-Base interactions energy: -157.198
where: short stacking energy: -81.363
Base-Backbone interact. energy: -0.011
local terms energy: -79.487425
where:
bonds (distance) C4'-P energy: -13.272
bonds (distance) P-C4' energy: -19.439
flat angles C4'-P-C4' energy: -14.892
flat angles P-C4'-P energy: -7.360
tors. eta vs tors. theta energy: -24.524
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 285
Temperature: 1.250000
Total energy: -195.285867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.285867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.285867 (E_RNA)
where:
Base-Base interactions energy: -122.042
where: short stacking energy: -72.818
Base-Backbone interact. energy: -0.645
local terms energy: -72.598827
where:
bonds (distance) C4'-P energy: -13.174
bonds (distance) P-C4' energy: -14.244
flat angles C4'-P-C4' energy: -18.029
flat angles P-C4'-P energy: -8.715
tors. eta vs tors. theta energy: -18.437
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 285
Temperature: 1.300000
Total energy: -114.695077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.695077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.695077 (E_RNA)
where:
Base-Base interactions energy: -48.986
where: short stacking energy: -44.326
Base-Backbone interact. energy: -0.172
local terms energy: -65.536680
where:
bonds (distance) C4'-P energy: -20.718
bonds (distance) P-C4' energy: -18.378
flat angles C4'-P-C4' energy: -16.491
flat angles P-C4'-P energy: -1.058
tors. eta vs tors. theta energy: -8.892
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 285
Temperature: 1.350000
Total energy: -105.187070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.187070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.187070 (E_RNA)
where:
Base-Base interactions energy: -51.026
where: short stacking energy: -51.026
Base-Backbone interact. energy: -0.119
local terms energy: -54.042187
where:
bonds (distance) C4'-P energy: -17.530
bonds (distance) P-C4' energy: -18.614
flat angles C4'-P-C4' energy: -11.678
flat angles P-C4'-P energy: -3.542
tors. eta vs tors. theta energy: -2.678
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 286
Temperature: 0.900000
Total energy: -333.817349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.817349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.817349 (E_RNA)
where:
Base-Base interactions energy: -242.127
where: short stacking energy: -94.622
Base-Backbone interact. energy: -0.381
local terms energy: -91.309283
where:
bonds (distance) C4'-P energy: -16.817
bonds (distance) P-C4' energy: -18.336
flat angles C4'-P-C4' energy: -18.523
flat angles P-C4'-P energy: -15.922
tors. eta vs tors. theta energy: -21.711
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 286
Temperature: 0.950000
Total energy: -329.531863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.531863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.531863 (E_RNA)
where:
Base-Base interactions energy: -231.991
where: short stacking energy: -99.126
Base-Backbone interact. energy: -0.534
local terms energy: -97.006360
where:
bonds (distance) C4'-P energy: -16.014
bonds (distance) P-C4' energy: -22.846
flat angles C4'-P-C4' energy: -21.544
flat angles P-C4'-P energy: -10.578
tors. eta vs tors. theta energy: -26.025
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 286
Temperature: 1.000000
Total energy: -271.682541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.682541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.682541 (E_RNA)
where:
Base-Base interactions energy: -194.573
where: short stacking energy: -76.720
Base-Backbone interact. energy: -0.141
local terms energy: -76.968475
where:
bonds (distance) C4'-P energy: -12.607
bonds (distance) P-C4' energy: -16.718
flat angles C4'-P-C4' energy: -18.151
flat angles P-C4'-P energy: -11.518
tors. eta vs tors. theta energy: -17.974
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 286
Temperature: 1.050000
Total energy: -271.706524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.706524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.706524 (E_RNA)
where:
Base-Base interactions energy: -181.115
where: short stacking energy: -79.382
Base-Backbone interact. energy: -1.017
local terms energy: -89.574661
where:
bonds (distance) C4'-P energy: -19.229
bonds (distance) P-C4' energy: -17.094
flat angles C4'-P-C4' energy: -18.454
flat angles P-C4'-P energy: -9.750
tors. eta vs tors. theta energy: -25.048
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 286
Temperature: 1.100000
Total energy: -268.149114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.149114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.149114 (E_RNA)
where:
Base-Base interactions energy: -173.276
where: short stacking energy: -78.681
Base-Backbone interact. energy: -0.530
local terms energy: -94.343186
where:
bonds (distance) C4'-P energy: -20.667
bonds (distance) P-C4' energy: -21.520
flat angles C4'-P-C4' energy: -19.018
flat angles P-C4'-P energy: -13.782
tors. eta vs tors. theta energy: -19.356
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 286
Temperature: 1.150000
Total energy: -212.064377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.064377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.064377 (E_RNA)
where:
Base-Base interactions energy: -132.048
where: short stacking energy: -70.265
Base-Backbone interact. energy: -0.350
local terms energy: -79.666177
where:
bonds (distance) C4'-P energy: -14.946
bonds (distance) P-C4' energy: -15.622
flat angles C4'-P-C4' energy: -21.086
flat angles P-C4'-P energy: -12.878
tors. eta vs tors. theta energy: -15.134
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 286
Temperature: 1.200000
Total energy: -239.839229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.839229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.839229 (E_RNA)
where:
Base-Base interactions energy: -150.286
where: short stacking energy: -65.171
Base-Backbone interact. energy: -0.265
local terms energy: -89.288325
where:
bonds (distance) C4'-P energy: -18.473
bonds (distance) P-C4' energy: -22.511
flat angles C4'-P-C4' energy: -20.204
flat angles P-C4'-P energy: -9.622
tors. eta vs tors. theta energy: -18.479
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 286
Temperature: 1.250000
Total energy: -198.437406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.437406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.437406 (E_RNA)
where:
Base-Base interactions energy: -114.542
where: short stacking energy: -62.151
Base-Backbone interact. energy: -0.878
local terms energy: -83.017825
where:
bonds (distance) C4'-P energy: -21.264
bonds (distance) P-C4' energy: -15.064
flat angles C4'-P-C4' energy: -18.060
flat angles P-C4'-P energy: -13.455
tors. eta vs tors. theta energy: -15.174
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 286
Temperature: 1.300000
Total energy: -112.410593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.410593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.410593 (E_RNA)
where:
Base-Base interactions energy: -43.864
where: short stacking energy: -31.877
Base-Backbone interact. energy: -0.213
local terms energy: -68.333728
where:
bonds (distance) C4'-P energy: -15.029
bonds (distance) P-C4' energy: -20.123
flat angles C4'-P-C4' energy: -17.428
flat angles P-C4'-P energy: -13.740
tors. eta vs tors. theta energy: -2.015
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 286
Temperature: 1.350000
Total energy: -98.835375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.835375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.835375 (E_RNA)
where:
Base-Base interactions energy: -42.508
where: short stacking energy: -36.854
Base-Backbone interact. energy: -0.143
local terms energy: -56.184226
where:
bonds (distance) C4'-P energy: -12.954
bonds (distance) P-C4' energy: -18.332
flat angles C4'-P-C4' energy: -13.636
flat angles P-C4'-P energy: -11.159
tors. eta vs tors. theta energy: -0.104
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 287
Temperature: 0.900000
Total energy: -342.470506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.470506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.470506 (E_RNA)
where:
Base-Base interactions energy: -245.628
where: short stacking energy: -91.243
Base-Backbone interact. energy: -0.579
local terms energy: -96.263207
where:
bonds (distance) C4'-P energy: -18.749
bonds (distance) P-C4' energy: -19.157
flat angles C4'-P-C4' energy: -22.977
flat angles P-C4'-P energy: -12.826
tors. eta vs tors. theta energy: -22.554
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 287
Temperature: 0.950000
Total energy: -332.271197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.271197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.271197 (E_RNA)
where:
Base-Base interactions energy: -231.435
where: short stacking energy: -92.087
Base-Backbone interact. energy: -0.715
local terms energy: -100.121669
where:
bonds (distance) C4'-P energy: -18.696
bonds (distance) P-C4' energy: -19.019
flat angles C4'-P-C4' energy: -20.898
flat angles P-C4'-P energy: -14.935
tors. eta vs tors. theta energy: -26.573
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 287
Temperature: 1.000000
Total energy: -275.095133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.095133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.095133 (E_RNA)
where:
Base-Base interactions energy: -187.089
where: short stacking energy: -78.889
Base-Backbone interact. energy: -0.196
local terms energy: -87.810374
where:
bonds (distance) C4'-P energy: -14.965
bonds (distance) P-C4' energy: -19.130
flat angles C4'-P-C4' energy: -17.020
flat angles P-C4'-P energy: -16.567
tors. eta vs tors. theta energy: -20.128
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 287
Temperature: 1.050000
Total energy: -284.853012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.853012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.853012 (E_RNA)
where:
Base-Base interactions energy: -200.965
where: short stacking energy: -100.278
Base-Backbone interact. energy: 1.240
local terms energy: -85.127602
where:
bonds (distance) C4'-P energy: -14.772
bonds (distance) P-C4' energy: -13.572
flat angles C4'-P-C4' energy: -21.684
flat angles P-C4'-P energy: -12.427
tors. eta vs tors. theta energy: -22.672
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 287
Temperature: 1.100000
Total energy: -254.006989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.006989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.006989 (E_RNA)
where:
Base-Base interactions energy: -166.544
where: short stacking energy: -75.355
Base-Backbone interact. energy: -0.151
local terms energy: -87.312125
where:
bonds (distance) C4'-P energy: -18.122
bonds (distance) P-C4' energy: -17.287
flat angles C4'-P-C4' energy: -18.569
flat angles P-C4'-P energy: -15.256
tors. eta vs tors. theta energy: -18.079
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 287
Temperature: 1.150000
Total energy: -234.294406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.294406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.294406 (E_RNA)
where:
Base-Base interactions energy: -154.630
where: short stacking energy: -72.219
Base-Backbone interact. energy: -0.480
local terms energy: -79.184084
where:
bonds (distance) C4'-P energy: -15.646
bonds (distance) P-C4' energy: -18.657
flat angles C4'-P-C4' energy: -17.991
flat angles P-C4'-P energy: -11.483
tors. eta vs tors. theta energy: -15.407
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 287
Temperature: 1.200000
Total energy: -209.142790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.142790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.142790 (E_RNA)
where:
Base-Base interactions energy: -129.459
where: short stacking energy: -61.718
Base-Backbone interact. energy: 1.331
local terms energy: -81.014910
where:
bonds (distance) C4'-P energy: -18.334
bonds (distance) P-C4' energy: -21.077
flat angles C4'-P-C4' energy: -18.427
flat angles P-C4'-P energy: -12.767
tors. eta vs tors. theta energy: -10.411
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 287
Temperature: 1.250000
Total energy: -115.637287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.637287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.637287 (E_RNA)
where:
Base-Base interactions energy: -41.449
where: short stacking energy: -39.613
Base-Backbone interact. energy: -0.708
local terms energy: -73.480600
where:
bonds (distance) C4'-P energy: -16.284
bonds (distance) P-C4' energy: -16.550
flat angles C4'-P-C4' energy: -22.548
flat angles P-C4'-P energy: -4.817
tors. eta vs tors. theta energy: -13.281
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 287
Temperature: 1.300000
Total energy: -189.376804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.376804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.376804 (E_RNA)
where:
Base-Base interactions energy: -119.381
where: short stacking energy: -52.773
Base-Backbone interact. energy: -0.814
local terms energy: -69.180854
where:
bonds (distance) C4'-P energy: -18.589
bonds (distance) P-C4' energy: -12.209
flat angles C4'-P-C4' energy: -10.561
flat angles P-C4'-P energy: -14.309
tors. eta vs tors. theta energy: -13.514
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 287
Temperature: 1.350000
Total energy: -99.369819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.369819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.369819 (E_RNA)
where:
Base-Base interactions energy: -40.210
where: short stacking energy: -37.913
Base-Backbone interact. energy: -0.095
local terms energy: -59.064207
where:
bonds (distance) C4'-P energy: -16.205
bonds (distance) P-C4' energy: -18.118
flat angles C4'-P-C4' energy: -14.280
flat angles P-C4'-P energy: -9.972
tors. eta vs tors. theta energy: -0.489
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 288
Temperature: 0.900000
Total energy: -336.167127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.167127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.167127 (E_RNA)
where:
Base-Base interactions energy: -236.700
where: short stacking energy: -102.003
Base-Backbone interact. energy: -1.100
local terms energy: -98.366977
where:
bonds (distance) C4'-P energy: -18.159
bonds (distance) P-C4' energy: -17.929
flat angles C4'-P-C4' energy: -19.128
flat angles P-C4'-P energy: -16.243
tors. eta vs tors. theta energy: -26.908
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 288
Temperature: 0.950000
Total energy: -331.626158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.626158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.626158 (E_RNA)
where:
Base-Base interactions energy: -233.419
where: short stacking energy: -91.138
Base-Backbone interact. energy: -0.710
local terms energy: -97.497144
where:
bonds (distance) C4'-P energy: -20.671
bonds (distance) P-C4' energy: -19.694
flat angles C4'-P-C4' energy: -21.179
flat angles P-C4'-P energy: -15.028
tors. eta vs tors. theta energy: -20.925
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 288
Temperature: 1.000000
Total energy: -296.737708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.737708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.737708 (E_RNA)
where:
Base-Base interactions energy: -198.174
where: short stacking energy: -93.279
Base-Backbone interact. energy: -0.805
local terms energy: -97.759547
where:
bonds (distance) C4'-P energy: -20.470
bonds (distance) P-C4' energy: -19.957
flat angles C4'-P-C4' energy: -22.647
flat angles P-C4'-P energy: -10.822
tors. eta vs tors. theta energy: -23.863
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 288
Temperature: 1.050000
Total energy: -270.738963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.738963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.738963 (E_RNA)
where:
Base-Base interactions energy: -179.329
where: short stacking energy: -79.835
Base-Backbone interact. energy: -0.147
local terms energy: -91.262947
where:
bonds (distance) C4'-P energy: -17.571
bonds (distance) P-C4' energy: -19.705
flat angles C4'-P-C4' energy: -19.462
flat angles P-C4'-P energy: -15.881
tors. eta vs tors. theta energy: -18.645
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 288
Temperature: 1.100000
Total energy: -258.049076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.049076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.049076 (E_RNA)
where:
Base-Base interactions energy: -170.225
where: short stacking energy: -82.909
Base-Backbone interact. energy: -0.048
local terms energy: -87.776048
where:
bonds (distance) C4'-P energy: -18.188
bonds (distance) P-C4' energy: -20.574
flat angles C4'-P-C4' energy: -15.535
flat angles P-C4'-P energy: -15.519
tors. eta vs tors. theta energy: -17.961
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 288
Temperature: 1.150000
Total energy: -228.496860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.496860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.496860 (E_RNA)
where:
Base-Base interactions energy: -157.638
where: short stacking energy: -59.577
Base-Backbone interact. energy: 0.307
local terms energy: -71.166014
where:
bonds (distance) C4'-P energy: -14.934
bonds (distance) P-C4' energy: -16.494
flat angles C4'-P-C4' energy: -15.351
flat angles P-C4'-P energy: -10.935
tors. eta vs tors. theta energy: -13.451
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 288
Temperature: 1.200000
Total energy: -241.965606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.965606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.965606 (E_RNA)
where:
Base-Base interactions energy: -156.581
where: short stacking energy: -77.241
Base-Backbone interact. energy: -0.774
local terms energy: -84.610060
where:
bonds (distance) C4'-P energy: -14.382
bonds (distance) P-C4' energy: -11.483
flat angles C4'-P-C4' energy: -21.223
flat angles P-C4'-P energy: -10.929
tors. eta vs tors. theta energy: -26.593
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 288
Temperature: 1.250000
Total energy: -126.662983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.662983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.662983 (E_RNA)
where:
Base-Base interactions energy: -45.862
where: short stacking energy: -45.862
Base-Backbone interact. energy: -0.171
local terms energy: -80.630004
where:
bonds (distance) C4'-P energy: -18.622
bonds (distance) P-C4' energy: -19.921
flat angles C4'-P-C4' energy: -19.010
flat angles P-C4'-P energy: -11.101
tors. eta vs tors. theta energy: -11.976
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 288
Temperature: 1.300000
Total energy: -182.831217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.831217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.831217 (E_RNA)
where:
Base-Base interactions energy: -116.369
where: short stacking energy: -52.893
Base-Backbone interact. energy: -0.253
local terms energy: -66.209230
where:
bonds (distance) C4'-P energy: -10.185
bonds (distance) P-C4' energy: -21.730
flat angles C4'-P-C4' energy: -21.836
flat angles P-C4'-P energy: -5.726
tors. eta vs tors. theta energy: -6.732
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 288
Temperature: 1.350000
Total energy: -110.515816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.515816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.515816 (E_RNA)
where:
Base-Base interactions energy: -44.315
where: short stacking energy: -42.352
Base-Backbone interact. energy: -0.531
local terms energy: -65.669863
where:
bonds (distance) C4'-P energy: -18.407
bonds (distance) P-C4' energy: -18.701
flat angles C4'-P-C4' energy: -17.838
flat angles P-C4'-P energy: -5.205
tors. eta vs tors. theta energy: -5.520
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 289
Temperature: 0.900000
Total energy: -329.504194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.504194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.504194 (E_RNA)
where:
Base-Base interactions energy: -239.883
where: short stacking energy: -99.758
Base-Backbone interact. energy: -0.764
local terms energy: -88.857334
where:
bonds (distance) C4'-P energy: -18.063
bonds (distance) P-C4' energy: -18.274
flat angles C4'-P-C4' energy: -17.717
flat angles P-C4'-P energy: -12.403
tors. eta vs tors. theta energy: -22.400
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 289
Temperature: 0.950000
Total energy: -329.390589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.390589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.390589 (E_RNA)
where:
Base-Base interactions energy: -234.532
where: short stacking energy: -98.642
Base-Backbone interact. energy: -0.782
local terms energy: -94.077359
where:
bonds (distance) C4'-P energy: -15.513
bonds (distance) P-C4' energy: -18.437
flat angles C4'-P-C4' energy: -21.693
flat angles P-C4'-P energy: -13.988
tors. eta vs tors. theta energy: -24.446
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 289
Temperature: 1.000000
Total energy: -294.606487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.606487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.606487 (E_RNA)
where:
Base-Base interactions energy: -197.988
where: short stacking energy: -75.869
Base-Backbone interact. energy: -1.757
local terms energy: -94.861659
where:
bonds (distance) C4'-P energy: -18.681
bonds (distance) P-C4' energy: -23.085
flat angles C4'-P-C4' energy: -20.790
flat angles P-C4'-P energy: -15.994
tors. eta vs tors. theta energy: -16.312
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 289
Temperature: 1.050000
Total energy: -266.264005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.264005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.264005 (E_RNA)
where:
Base-Base interactions energy: -178.733
where: short stacking energy: -74.673
Base-Backbone interact. energy: -0.091
local terms energy: -87.439691
where:
bonds (distance) C4'-P energy: -20.406
bonds (distance) P-C4' energy: -16.990
flat angles C4'-P-C4' energy: -18.538
flat angles P-C4'-P energy: -11.712
tors. eta vs tors. theta energy: -19.793
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 289
Temperature: 1.100000
Total energy: -245.346492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.346492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.346492 (E_RNA)
where:
Base-Base interactions energy: -170.682
where: short stacking energy: -72.025
Base-Backbone interact. energy: -0.645
local terms energy: -74.019462
where:
bonds (distance) C4'-P energy: -17.667
bonds (distance) P-C4' energy: -16.767
flat angles C4'-P-C4' energy: -18.888
flat angles P-C4'-P energy: -8.020
tors. eta vs tors. theta energy: -12.676
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 289
Temperature: 1.150000
Total energy: -247.042830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.042830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.042830 (E_RNA)
where:
Base-Base interactions energy: -159.561
where: short stacking energy: -87.942
Base-Backbone interact. energy: -0.108
local terms energy: -87.374095
where:
bonds (distance) C4'-P energy: -16.547
bonds (distance) P-C4' energy: -18.300
flat angles C4'-P-C4' energy: -18.531
flat angles P-C4'-P energy: -12.035
tors. eta vs tors. theta energy: -21.961
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 289
Temperature: 1.200000
Total energy: -234.681416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.681416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.681416 (E_RNA)
where:
Base-Base interactions energy: -161.790
where: short stacking energy: -73.480
Base-Backbone interact. energy: -0.067
local terms energy: -72.824520
where:
bonds (distance) C4'-P energy: -15.365
bonds (distance) P-C4' energy: -22.447
flat angles C4'-P-C4' energy: -14.237
flat angles P-C4'-P energy: -12.387
tors. eta vs tors. theta energy: -8.389
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 289
Temperature: 1.250000
Total energy: -201.107668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.107668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.107668 (E_RNA)
where:
Base-Base interactions energy: -127.387
where: short stacking energy: -70.075
Base-Backbone interact. energy: -0.375
local terms energy: -73.344988
where:
bonds (distance) C4'-P energy: -10.943
bonds (distance) P-C4' energy: -18.829
flat angles C4'-P-C4' energy: -15.459
flat angles P-C4'-P energy: -7.921
tors. eta vs tors. theta energy: -20.194
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 289
Temperature: 1.300000
Total energy: -116.491902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.491902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.491902 (E_RNA)
where:
Base-Base interactions energy: -57.546
where: short stacking energy: -32.929
Base-Backbone interact. energy: -1.103
local terms energy: -57.842995
where:
bonds (distance) C4'-P energy: -19.239
bonds (distance) P-C4' energy: -13.816
flat angles C4'-P-C4' energy: -18.292
flat angles P-C4'-P energy: -10.402
tors. eta vs tors. theta energy: 3.905
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 289
Temperature: 1.350000
Total energy: -95.730731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.730731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.730731 (E_RNA)
where:
Base-Base interactions energy: -30.157
where: short stacking energy: -25.349
Base-Backbone interact. energy: -0.413
local terms energy: -65.161085
where:
bonds (distance) C4'-P energy: -16.044
bonds (distance) P-C4' energy: -19.081
flat angles C4'-P-C4' energy: -19.062
flat angles P-C4'-P energy: -12.436
tors. eta vs tors. theta energy: 1.462
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 290
Temperature: 0.900000
Total energy: -337.475065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.475065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.475065 (E_RNA)
where:
Base-Base interactions energy: -238.343
where: short stacking energy: -94.731
Base-Backbone interact. energy: 0.028
local terms energy: -99.159934
where:
bonds (distance) C4'-P energy: -19.542
bonds (distance) P-C4' energy: -20.271
flat angles C4'-P-C4' energy: -19.146
flat angles P-C4'-P energy: -13.596
tors. eta vs tors. theta energy: -26.605
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 290
Temperature: 0.950000
Total energy: -332.280771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.280771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.280771 (E_RNA)
where:
Base-Base interactions energy: -239.444
where: short stacking energy: -92.566
Base-Backbone interact. energy: -0.739
local terms energy: -92.098132
where:
bonds (distance) C4'-P energy: -15.148
bonds (distance) P-C4' energy: -18.858
flat angles C4'-P-C4' energy: -19.930
flat angles P-C4'-P energy: -13.261
tors. eta vs tors. theta energy: -24.901
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 290
Temperature: 1.000000
Total energy: -289.938046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.938046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.938046 (E_RNA)
where:
Base-Base interactions energy: -198.262
where: short stacking energy: -71.111
Base-Backbone interact. energy: -0.176
local terms energy: -91.500396
where:
bonds (distance) C4'-P energy: -17.981
bonds (distance) P-C4' energy: -18.309
flat angles C4'-P-C4' energy: -24.500
flat angles P-C4'-P energy: -14.845
tors. eta vs tors. theta energy: -15.866
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 290
Temperature: 1.050000
Total energy: -279.472913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.472913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.472913 (E_RNA)
where:
Base-Base interactions energy: -193.137
where: short stacking energy: -89.505
Base-Backbone interact. energy: -1.216
local terms energy: -85.120585
where:
bonds (distance) C4'-P energy: -12.211
bonds (distance) P-C4' energy: -16.981
flat angles C4'-P-C4' energy: -18.207
flat angles P-C4'-P energy: -12.360
tors. eta vs tors. theta energy: -25.362
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 290
Temperature: 1.100000
Total energy: -258.594780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.594780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.594780 (E_RNA)
where:
Base-Base interactions energy: -167.355
where: short stacking energy: -79.912
Base-Backbone interact. energy: 4.276
local terms energy: -95.516149
where:
bonds (distance) C4'-P energy: -21.769
bonds (distance) P-C4' energy: -16.208
flat angles C4'-P-C4' energy: -20.944
flat angles P-C4'-P energy: -16.542
tors. eta vs tors. theta energy: -20.053
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 290
Temperature: 1.150000
Total energy: -244.083212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.083212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.083212 (E_RNA)
where:
Base-Base interactions energy: -162.034
where: short stacking energy: -66.327
Base-Backbone interact. energy: -0.120
local terms energy: -81.929539
where:
bonds (distance) C4'-P energy: -16.990
bonds (distance) P-C4' energy: -19.899
flat angles C4'-P-C4' energy: -16.567
flat angles P-C4'-P energy: -13.690
tors. eta vs tors. theta energy: -14.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 290
Temperature: 1.200000
Total energy: -228.844878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.844878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.844878 (E_RNA)
where:
Base-Base interactions energy: -149.368
where: short stacking energy: -61.583
Base-Backbone interact. energy: -0.497
local terms energy: -78.980175
where:
bonds (distance) C4'-P energy: -20.614
bonds (distance) P-C4' energy: -15.989
flat angles C4'-P-C4' energy: -20.009
flat angles P-C4'-P energy: -5.342
tors. eta vs tors. theta energy: -17.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 290
Temperature: 1.250000
Total energy: -206.982650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.982650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.982650 (E_RNA)
where:
Base-Base interactions energy: -124.846
where: short stacking energy: -69.676
Base-Backbone interact. energy: -0.070
local terms energy: -82.066439
where:
bonds (distance) C4'-P energy: -15.432
bonds (distance) P-C4' energy: -22.033
flat angles C4'-P-C4' energy: -21.002
flat angles P-C4'-P energy: -7.754
tors. eta vs tors. theta energy: -15.845
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 290
Temperature: 1.300000
Total energy: -105.945051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.945051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.945051 (E_RNA)
where:
Base-Base interactions energy: -42.398
where: short stacking energy: -41.010
Base-Backbone interact. energy: 0.940
local terms energy: -64.486888
where:
bonds (distance) C4'-P energy: -10.269
bonds (distance) P-C4' energy: -19.498
flat angles C4'-P-C4' energy: -16.312
flat angles P-C4'-P energy: -11.789
tors. eta vs tors. theta energy: -6.618
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 290
Temperature: 1.350000
Total energy: -117.089855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.089855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.089855 (E_RNA)
where:
Base-Base interactions energy: -51.268
where: short stacking energy: -30.749
Base-Backbone interact. energy: -0.398
local terms energy: -65.423743
where:
bonds (distance) C4'-P energy: -17.116
bonds (distance) P-C4' energy: -17.955
flat angles C4'-P-C4' energy: -16.681
flat angles P-C4'-P energy: -12.527
tors. eta vs tors. theta energy: -1.144
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 291
Temperature: 0.900000
Total energy: -342.288207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.288207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.288207 (E_RNA)
where:
Base-Base interactions energy: -240.069
where: short stacking energy: -99.232
Base-Backbone interact. energy: -1.200
local terms energy: -101.018292
where:
bonds (distance) C4'-P energy: -20.286
bonds (distance) P-C4' energy: -20.795
flat angles C4'-P-C4' energy: -20.034
flat angles P-C4'-P energy: -17.069
tors. eta vs tors. theta energy: -22.833
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 291
Temperature: 0.950000
Total energy: -332.700799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.700799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.700799 (E_RNA)
where:
Base-Base interactions energy: -225.124
where: short stacking energy: -99.167
Base-Backbone interact. energy: -0.709
local terms energy: -106.867739
where:
bonds (distance) C4'-P energy: -20.437
bonds (distance) P-C4' energy: -19.909
flat angles C4'-P-C4' energy: -20.573
flat angles P-C4'-P energy: -19.002
tors. eta vs tors. theta energy: -26.947
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 291
Temperature: 1.000000
Total energy: -293.934769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.934769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.934769 (E_RNA)
where:
Base-Base interactions energy: -199.512
where: short stacking energy: -83.807
Base-Backbone interact. energy: -0.656
local terms energy: -93.767262
where:
bonds (distance) C4'-P energy: -17.133
bonds (distance) P-C4' energy: -20.743
flat angles C4'-P-C4' energy: -23.019
flat angles P-C4'-P energy: -13.357
tors. eta vs tors. theta energy: -19.516
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 291
Temperature: 1.050000
Total energy: -288.557339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.557339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.557339 (E_RNA)
where:
Base-Base interactions energy: -191.073
where: short stacking energy: -96.462
Base-Backbone interact. energy: -0.860
local terms energy: -96.623810
where:
bonds (distance) C4'-P energy: -19.185
bonds (distance) P-C4' energy: -18.765
flat angles C4'-P-C4' energy: -20.626
flat angles P-C4'-P energy: -13.589
tors. eta vs tors. theta energy: -24.459
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 291
Temperature: 1.100000
Total energy: -247.481521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.481521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.481521 (E_RNA)
where:
Base-Base interactions energy: -164.359
where: short stacking energy: -91.580
Base-Backbone interact. energy: -0.146
local terms energy: -82.976278
where:
bonds (distance) C4'-P energy: -14.769
bonds (distance) P-C4' energy: -15.151
flat angles C4'-P-C4' energy: -19.895
flat angles P-C4'-P energy: -14.975
tors. eta vs tors. theta energy: -18.187
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 291
Temperature: 1.150000
Total energy: -247.848103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.848103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.848103 (E_RNA)
where:
Base-Base interactions energy: -173.041
where: short stacking energy: -69.752
Base-Backbone interact. energy: -0.273
local terms energy: -74.533322
where:
bonds (distance) C4'-P energy: -11.608
bonds (distance) P-C4' energy: -11.933
flat angles C4'-P-C4' energy: -22.139
flat angles P-C4'-P energy: -13.598
tors. eta vs tors. theta energy: -15.256
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 291
Temperature: 1.200000
Total energy: -239.256280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.256280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.256280 (E_RNA)
where:
Base-Base interactions energy: -152.881
where: short stacking energy: -75.919
Base-Backbone interact. energy: -0.059
local terms energy: -86.316239
where:
bonds (distance) C4'-P energy: -18.433
bonds (distance) P-C4' energy: -19.990
flat angles C4'-P-C4' energy: -18.051
flat angles P-C4'-P energy: -9.177
tors. eta vs tors. theta energy: -20.666
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 291
Temperature: 1.250000
Total energy: -193.304801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.304801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.304801 (E_RNA)
where:
Base-Base interactions energy: -114.399
where: short stacking energy: -57.453
Base-Backbone interact. energy: -0.242
local terms energy: -78.664049
where:
bonds (distance) C4'-P energy: -19.070
bonds (distance) P-C4' energy: -17.514
flat angles C4'-P-C4' energy: -15.131
flat angles P-C4'-P energy: -13.452
tors. eta vs tors. theta energy: -13.497
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 291
Temperature: 1.300000
Total energy: -105.836424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.836424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.836424 (E_RNA)
where:
Base-Base interactions energy: -44.144
where: short stacking energy: -44.144
Base-Backbone interact. energy: 0.162
local terms energy: -61.854078
where:
bonds (distance) C4'-P energy: -14.321
bonds (distance) P-C4' energy: -21.722
flat angles C4'-P-C4' energy: -16.258
flat angles P-C4'-P energy: -12.049
tors. eta vs tors. theta energy: 2.495
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 291
Temperature: 1.350000
Total energy: -108.058599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.058599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.058599 (E_RNA)
where:
Base-Base interactions energy: -41.875
where: short stacking energy: -39.340
Base-Backbone interact. energy: -0.382
local terms energy: -65.800898
where:
bonds (distance) C4'-P energy: -16.565
bonds (distance) P-C4' energy: -17.243
flat angles C4'-P-C4' energy: -15.918
flat angles P-C4'-P energy: -12.058
tors. eta vs tors. theta energy: -4.018
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 292
Temperature: 0.900000
Total energy: -346.675392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.675392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.675392 (E_RNA)
where:
Base-Base interactions energy: -249.440
where: short stacking energy: -93.451
Base-Backbone interact. energy: 0.410
local terms energy: -97.645056
where:
bonds (distance) C4'-P energy: -22.333
bonds (distance) P-C4' energy: -22.896
flat angles C4'-P-C4' energy: -18.381
flat angles P-C4'-P energy: -11.089
tors. eta vs tors. theta energy: -22.947
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 292
Temperature: 0.950000
Total energy: -328.538545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.538545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.538545 (E_RNA)
where:
Base-Base interactions energy: -239.553
where: short stacking energy: -94.381
Base-Backbone interact. energy: -1.795
local terms energy: -87.190443
where:
bonds (distance) C4'-P energy: -18.936
bonds (distance) P-C4' energy: -13.741
flat angles C4'-P-C4' energy: -18.510
flat angles P-C4'-P energy: -11.745
tors. eta vs tors. theta energy: -24.258
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 292
Temperature: 1.000000
Total energy: -291.744705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.744705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.744705 (E_RNA)
where:
Base-Base interactions energy: -200.580
where: short stacking energy: -79.579
Base-Backbone interact. energy: -0.546
local terms energy: -90.619140
where:
bonds (distance) C4'-P energy: -18.606
bonds (distance) P-C4' energy: -20.972
flat angles C4'-P-C4' energy: -19.953
flat angles P-C4'-P energy: -15.546
tors. eta vs tors. theta energy: -15.541
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 292
Temperature: 1.050000
Total energy: -275.418405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.418405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.418405 (E_RNA)
where:
Base-Base interactions energy: -191.454
where: short stacking energy: -83.584
Base-Backbone interact. energy: -0.052
local terms energy: -83.912252
where:
bonds (distance) C4'-P energy: -13.600
bonds (distance) P-C4' energy: -14.198
flat angles C4'-P-C4' energy: -20.429
flat angles P-C4'-P energy: -18.005
tors. eta vs tors. theta energy: -17.680
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 292
Temperature: 1.100000
Total energy: -281.270213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.270213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.270213 (E_RNA)
where:
Base-Base interactions energy: -196.374
where: short stacking energy: -77.600
Base-Backbone interact. energy: -0.057
local terms energy: -84.838787
where:
bonds (distance) C4'-P energy: -16.222
bonds (distance) P-C4' energy: -21.884
flat angles C4'-P-C4' energy: -14.628
flat angles P-C4'-P energy: -12.411
tors. eta vs tors. theta energy: -19.694
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 292
Temperature: 1.150000
Total energy: -244.700841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.700841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.700841 (E_RNA)
where:
Base-Base interactions energy: -157.231
where: short stacking energy: -85.774
Base-Backbone interact. energy: 0.363
local terms energy: -87.832480
where:
bonds (distance) C4'-P energy: -16.485
bonds (distance) P-C4' energy: -16.144
flat angles C4'-P-C4' energy: -23.713
flat angles P-C4'-P energy: -11.954
tors. eta vs tors. theta energy: -19.537
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 292
Temperature: 1.200000
Total energy: -231.808621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.808621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.808621 (E_RNA)
where:
Base-Base interactions energy: -146.919
where: short stacking energy: -65.058
Base-Backbone interact. energy: -0.630
local terms energy: -84.258837
where:
bonds (distance) C4'-P energy: -18.303
bonds (distance) P-C4' energy: -21.728
flat angles C4'-P-C4' energy: -14.354
flat angles P-C4'-P energy: -16.133
tors. eta vs tors. theta energy: -13.741
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 292
Temperature: 1.250000
Total energy: -218.487796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.487796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.487796 (E_RNA)
where:
Base-Base interactions energy: -142.725
where: short stacking energy: -72.188
Base-Backbone interact. energy: -0.160
local terms energy: -75.602637
where:
bonds (distance) C4'-P energy: -10.203
bonds (distance) P-C4' energy: -20.630
flat angles C4'-P-C4' energy: -15.405
flat angles P-C4'-P energy: -12.719
tors. eta vs tors. theta energy: -16.646
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 292
Temperature: 1.300000
Total energy: -111.131013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.131013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.131013 (E_RNA)
where:
Base-Base interactions energy: -52.017
where: short stacking energy: -38.121
Base-Backbone interact. energy: -0.083
local terms energy: -59.031624
where:
bonds (distance) C4'-P energy: -15.404
bonds (distance) P-C4' energy: -15.642
flat angles C4'-P-C4' energy: -13.133
flat angles P-C4'-P energy: -12.507
tors. eta vs tors. theta energy: -2.346
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 292
Temperature: 1.350000
Total energy: -100.431607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.431607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.431607 (E_RNA)
where:
Base-Base interactions energy: -30.560
where: short stacking energy: -30.560
Base-Backbone interact. energy: -0.193
local terms energy: -69.678556
where:
bonds (distance) C4'-P energy: -20.730
bonds (distance) P-C4' energy: -19.894
flat angles C4'-P-C4' energy: -13.648
flat angles P-C4'-P energy: -6.828
tors. eta vs tors. theta energy: -8.578
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 293
Temperature: 0.900000
Total energy: -344.556895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.556895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.556895 (E_RNA)
where:
Base-Base interactions energy: -241.639
where: short stacking energy: -95.253
Base-Backbone interact. energy: -0.995
local terms energy: -101.923160
where:
bonds (distance) C4'-P energy: -18.702
bonds (distance) P-C4' energy: -21.284
flat angles C4'-P-C4' energy: -20.340
flat angles P-C4'-P energy: -15.545
tors. eta vs tors. theta energy: -26.053
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 293
Temperature: 0.950000
Total energy: -314.473395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.473395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.473395 (E_RNA)
where:
Base-Base interactions energy: -227.748
where: short stacking energy: -91.723
Base-Backbone interact. energy: -1.175
local terms energy: -85.550027
where:
bonds (distance) C4'-P energy: -14.847
bonds (distance) P-C4' energy: -18.910
flat angles C4'-P-C4' energy: -21.899
flat angles P-C4'-P energy: -6.332
tors. eta vs tors. theta energy: -23.562
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 293
Temperature: 1.000000
Total energy: -291.845836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.845836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.845836 (E_RNA)
where:
Base-Base interactions energy: -194.839
where: short stacking energy: -84.349
Base-Backbone interact. energy: -0.298
local terms energy: -96.709162
where:
bonds (distance) C4'-P energy: -18.308
bonds (distance) P-C4' energy: -21.371
flat angles C4'-P-C4' energy: -23.447
flat angles P-C4'-P energy: -12.703
tors. eta vs tors. theta energy: -20.880
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 293
Temperature: 1.050000
Total energy: -286.355714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.355714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.355714 (E_RNA)
where:
Base-Base interactions energy: -204.024
where: short stacking energy: -88.661
Base-Backbone interact. energy: -0.577
local terms energy: -81.754666
where:
bonds (distance) C4'-P energy: -17.836
bonds (distance) P-C4' energy: -14.598
flat angles C4'-P-C4' energy: -14.631
flat angles P-C4'-P energy: -10.910
tors. eta vs tors. theta energy: -23.780
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 293
Temperature: 1.100000
Total energy: -277.710761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.710761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.710761 (E_RNA)
where:
Base-Base interactions energy: -182.778
where: short stacking energy: -87.698
Base-Backbone interact. energy: 1.206
local terms energy: -96.139489
where:
bonds (distance) C4'-P energy: -21.235
bonds (distance) P-C4' energy: -17.890
flat angles C4'-P-C4' energy: -18.046
flat angles P-C4'-P energy: -11.466
tors. eta vs tors. theta energy: -27.503
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 293
Temperature: 1.150000
Total energy: -242.290957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.290957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.290957 (E_RNA)
where:
Base-Base interactions energy: -173.119
where: short stacking energy: -68.848
Base-Backbone interact. energy: -0.208
local terms energy: -68.963527
where:
bonds (distance) C4'-P energy: -13.224
bonds (distance) P-C4' energy: -13.378
flat angles C4'-P-C4' energy: -18.749
flat angles P-C4'-P energy: -9.456
tors. eta vs tors. theta energy: -14.156
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 293
Temperature: 1.200000
Total energy: -234.064725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.064725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.064725 (E_RNA)
where:
Base-Base interactions energy: -151.243
where: short stacking energy: -80.752
Base-Backbone interact. energy: -0.003
local terms energy: -82.818589
where:
bonds (distance) C4'-P energy: -15.165
bonds (distance) P-C4' energy: -13.807
flat angles C4'-P-C4' energy: -19.173
flat angles P-C4'-P energy: -10.835
tors. eta vs tors. theta energy: -23.838
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 293
Temperature: 1.250000
Total energy: -239.884610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.884610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.884610 (E_RNA)
where:
Base-Base interactions energy: -155.722
where: short stacking energy: -84.322
Base-Backbone interact. energy: -0.181
local terms energy: -83.981164
where:
bonds (distance) C4'-P energy: -15.435
bonds (distance) P-C4' energy: -16.992
flat angles C4'-P-C4' energy: -15.953
flat angles P-C4'-P energy: -13.852
tors. eta vs tors. theta energy: -21.749
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 293
Temperature: 1.300000
Total energy: -142.977398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.977398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.977398 (E_RNA)
where:
Base-Base interactions energy: -82.147
where: short stacking energy: -54.352
Base-Backbone interact. energy: -0.151
local terms energy: -60.679203
where:
bonds (distance) C4'-P energy: -5.937
bonds (distance) P-C4' energy: -21.462
flat angles C4'-P-C4' energy: -14.842
flat angles P-C4'-P energy: -8.297
tors. eta vs tors. theta energy: -10.141
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 293
Temperature: 1.350000
Total energy: -124.781501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.781501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.781501 (E_RNA)
where:
Base-Base interactions energy: -75.087
where: short stacking energy: -30.313
Base-Backbone interact. energy: -0.624
local terms energy: -49.070884
where:
bonds (distance) C4'-P energy: -15.033
bonds (distance) P-C4' energy: -14.153
flat angles C4'-P-C4' energy: -16.893
flat angles P-C4'-P energy: -8.630
tors. eta vs tors. theta energy: 5.637
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 294
Temperature: 0.900000
Total energy: -334.309064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.309064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.309064 (E_RNA)
where:
Base-Base interactions energy: -234.666
where: short stacking energy: -92.321
Base-Backbone interact. energy: 0.664
local terms energy: -100.307104
where:
bonds (distance) C4'-P energy: -18.936
bonds (distance) P-C4' energy: -19.094
flat angles C4'-P-C4' energy: -22.263
flat angles P-C4'-P energy: -12.846
tors. eta vs tors. theta energy: -27.169
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 294
Temperature: 0.950000
Total energy: -327.235629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.235629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.235629 (E_RNA)
where:
Base-Base interactions energy: -232.247
where: short stacking energy: -92.821
Base-Backbone interact. energy: -1.100
local terms energy: -93.888189
where:
bonds (distance) C4'-P energy: -16.666
bonds (distance) P-C4' energy: -19.978
flat angles C4'-P-C4' energy: -18.481
flat angles P-C4'-P energy: -15.504
tors. eta vs tors. theta energy: -23.260
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 294
Temperature: 1.000000
Total energy: -311.448736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.448736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.448736 (E_RNA)
where:
Base-Base interactions energy: -215.288
where: short stacking energy: -83.076
Base-Backbone interact. energy: -0.447
local terms energy: -95.713580
where:
bonds (distance) C4'-P energy: -22.933
bonds (distance) P-C4' energy: -16.497
flat angles C4'-P-C4' energy: -18.157
flat angles P-C4'-P energy: -15.819
tors. eta vs tors. theta energy: -22.307
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 294
Temperature: 1.050000
Total energy: -288.301088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.301088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.301088 (E_RNA)
where:
Base-Base interactions energy: -202.112
where: short stacking energy: -90.512
Base-Backbone interact. energy: -0.833
local terms energy: -85.356214
where:
bonds (distance) C4'-P energy: -18.615
bonds (distance) P-C4' energy: -16.357
flat angles C4'-P-C4' energy: -21.915
flat angles P-C4'-P energy: -7.465
tors. eta vs tors. theta energy: -21.005
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 294
Temperature: 1.100000
Total energy: -260.888698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.888698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.888698 (E_RNA)
where:
Base-Base interactions energy: -173.408
where: short stacking energy: -83.094
Base-Backbone interact. energy: -0.157
local terms energy: -87.323098
where:
bonds (distance) C4'-P energy: -15.829
bonds (distance) P-C4' energy: -14.354
flat angles C4'-P-C4' energy: -23.254
flat angles P-C4'-P energy: -13.520
tors. eta vs tors. theta energy: -20.365
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 294
Temperature: 1.150000
Total energy: -283.195614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.195614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.195614 (E_RNA)
where:
Base-Base interactions energy: -182.815
where: short stacking energy: -86.804
Base-Backbone interact. energy: -0.333
local terms energy: -100.047845
where:
bonds (distance) C4'-P energy: -20.936
bonds (distance) P-C4' energy: -17.049
flat angles C4'-P-C4' energy: -21.087
flat angles P-C4'-P energy: -15.197
tors. eta vs tors. theta energy: -25.778
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 294
Temperature: 1.200000
Total energy: -212.308529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.308529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.308529 (E_RNA)
where:
Base-Base interactions energy: -131.314
where: short stacking energy: -80.882
Base-Backbone interact. energy: -0.508
local terms energy: -80.486457
where:
bonds (distance) C4'-P energy: -15.952
bonds (distance) P-C4' energy: -18.448
flat angles C4'-P-C4' energy: -17.901
flat angles P-C4'-P energy: -10.909
tors. eta vs tors. theta energy: -17.276
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 294
Temperature: 1.250000
Total energy: -194.490654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.490654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.490654 (E_RNA)
where:
Base-Base interactions energy: -129.135
where: short stacking energy: -63.741
Base-Backbone interact. energy: -0.677
local terms energy: -64.678809
where:
bonds (distance) C4'-P energy: -16.317
bonds (distance) P-C4' energy: -19.669
flat angles C4'-P-C4' energy: -19.416
flat angles P-C4'-P energy: -1.895
tors. eta vs tors. theta energy: -7.381
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 294
Temperature: 1.300000
Total energy: -198.442056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.442056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.442056 (E_RNA)
where:
Base-Base interactions energy: -126.984
where: short stacking energy: -66.383
Base-Backbone interact. energy: -0.358
local terms energy: -71.100048
where:
bonds (distance) C4'-P energy: -15.746
bonds (distance) P-C4' energy: -17.406
flat angles C4'-P-C4' energy: -17.793
flat angles P-C4'-P energy: -8.122
tors. eta vs tors. theta energy: -12.033
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 294
Temperature: 1.350000
Total energy: -106.130487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.130487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.130487 (E_RNA)
where:
Base-Base interactions energy: -59.422
where: short stacking energy: -12.423
Base-Backbone interact. energy: 0.356
local terms energy: -47.064733
where:
bonds (distance) C4'-P energy: -20.200
bonds (distance) P-C4' energy: -15.249
flat angles C4'-P-C4' energy: -13.102
flat angles P-C4'-P energy: -9.623
tors. eta vs tors. theta energy: 11.109
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 295
Temperature: 0.900000
Total energy: -328.541905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.541905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.541905 (E_RNA)
where:
Base-Base interactions energy: -231.237
where: short stacking energy: -94.073
Base-Backbone interact. energy: -0.526
local terms energy: -96.779048
where:
bonds (distance) C4'-P energy: -13.161
bonds (distance) P-C4' energy: -21.068
flat angles C4'-P-C4' energy: -18.733
flat angles P-C4'-P energy: -16.471
tors. eta vs tors. theta energy: -27.346
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 295
Temperature: 0.950000
Total energy: -303.786989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.786989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.786989 (E_RNA)
where:
Base-Base interactions energy: -212.738
where: short stacking energy: -75.521
Base-Backbone interact. energy: 0.227
local terms energy: -91.276600
where:
bonds (distance) C4'-P energy: -21.557
bonds (distance) P-C4' energy: -18.531
flat angles C4'-P-C4' energy: -15.580
flat angles P-C4'-P energy: -17.933
tors. eta vs tors. theta energy: -17.675
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 295
Temperature: 1.000000
Total energy: -318.926183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.926183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.926183 (E_RNA)
where:
Base-Base interactions energy: -219.731
where: short stacking energy: -95.212
Base-Backbone interact. energy: -0.819
local terms energy: -98.376015
where:
bonds (distance) C4'-P energy: -21.037
bonds (distance) P-C4' energy: -18.971
flat angles C4'-P-C4' energy: -20.999
flat angles P-C4'-P energy: -13.853
tors. eta vs tors. theta energy: -23.515
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 295
Temperature: 1.050000
Total energy: -287.155315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.155315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.155315 (E_RNA)
where:
Base-Base interactions energy: -197.049
where: short stacking energy: -78.345
Base-Backbone interact. energy: -0.611
local terms energy: -89.494908
where:
bonds (distance) C4'-P energy: -19.815
bonds (distance) P-C4' energy: -15.839
flat angles C4'-P-C4' energy: -22.994
flat angles P-C4'-P energy: -12.236
tors. eta vs tors. theta energy: -18.610
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 295
Temperature: 1.100000
Total energy: -257.095658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.095658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.095658 (E_RNA)
where:
Base-Base interactions energy: -169.140
where: short stacking energy: -73.578
Base-Backbone interact. energy: -0.575
local terms energy: -87.379839
where:
bonds (distance) C4'-P energy: -16.037
bonds (distance) P-C4' energy: -20.036
flat angles C4'-P-C4' energy: -20.768
flat angles P-C4'-P energy: -13.185
tors. eta vs tors. theta energy: -17.355
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 295
Temperature: 1.150000
Total energy: -276.146456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.146456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.146456 (E_RNA)
where:
Base-Base interactions energy: -184.862
where: short stacking energy: -77.045
Base-Backbone interact. energy: -1.004
local terms energy: -90.280196
where:
bonds (distance) C4'-P energy: -17.624
bonds (distance) P-C4' energy: -12.228
flat angles C4'-P-C4' energy: -21.015
flat angles P-C4'-P energy: -12.527
tors. eta vs tors. theta energy: -26.887
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 295
Temperature: 1.200000
Total energy: -213.453943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.453943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.453943 (E_RNA)
where:
Base-Base interactions energy: -133.253
where: short stacking energy: -65.330
Base-Backbone interact. energy: -0.535
local terms energy: -79.665193
where:
bonds (distance) C4'-P energy: -19.119
bonds (distance) P-C4' energy: -19.153
flat angles C4'-P-C4' energy: -17.742
flat angles P-C4'-P energy: -11.448
tors. eta vs tors. theta energy: -12.203
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 295
Temperature: 1.250000
Total energy: -204.326801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.326801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.326801 (E_RNA)
where:
Base-Base interactions energy: -123.689
where: short stacking energy: -55.851
Base-Backbone interact. energy: -0.189
local terms energy: -80.449085
where:
bonds (distance) C4'-P energy: -16.921
bonds (distance) P-C4' energy: -20.161
flat angles C4'-P-C4' energy: -16.794
flat angles P-C4'-P energy: -9.766
tors. eta vs tors. theta energy: -16.808
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 295
Temperature: 1.300000
Total energy: -180.485424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.485424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.485424 (E_RNA)
where:
Base-Base interactions energy: -106.225
where: short stacking energy: -47.998
Base-Backbone interact. energy: 0.897
local terms energy: -75.157920
where:
bonds (distance) C4'-P energy: -16.548
bonds (distance) P-C4' energy: -14.234
flat angles C4'-P-C4' energy: -18.556
flat angles P-C4'-P energy: -14.614
tors. eta vs tors. theta energy: -11.207
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 295
Temperature: 1.350000
Total energy: -95.908626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.908626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.908626 (E_RNA)
where:
Base-Base interactions energy: -38.323
where: short stacking energy: -34.850
Base-Backbone interact. energy: -0.032
local terms energy: -57.553781
where:
bonds (distance) C4'-P energy: -15.236
bonds (distance) P-C4' energy: -18.733
flat angles C4'-P-C4' energy: -17.858
flat angles P-C4'-P energy: -3.090
tors. eta vs tors. theta energy: -2.636
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 296
Temperature: 0.900000
Total energy: -329.850427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.850427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.850427 (E_RNA)
where:
Base-Base interactions energy: -244.327
where: short stacking energy: -99.647
Base-Backbone interact. energy: 0.552
local terms energy: -86.075637
where:
bonds (distance) C4'-P energy: -19.164
bonds (distance) P-C4' energy: -14.474
flat angles C4'-P-C4' energy: -17.136
flat angles P-C4'-P energy: -9.873
tors. eta vs tors. theta energy: -25.428
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 296
Temperature: 0.950000
Total energy: -290.105222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.105222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.105222 (E_RNA)
where:
Base-Base interactions energy: -201.595
where: short stacking energy: -83.307
Base-Backbone interact. energy: -0.546
local terms energy: -87.964342
where:
bonds (distance) C4'-P energy: -17.551
bonds (distance) P-C4' energy: -21.623
flat angles C4'-P-C4' energy: -20.221
flat angles P-C4'-P energy: -11.573
tors. eta vs tors. theta energy: -16.996
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 296
Temperature: 1.000000
Total energy: -328.792167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.792167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.792167 (E_RNA)
where:
Base-Base interactions energy: -230.675
where: short stacking energy: -95.695
Base-Backbone interact. energy: -0.419
local terms energy: -97.698708
where:
bonds (distance) C4'-P energy: -16.301
bonds (distance) P-C4' energy: -20.749
flat angles C4'-P-C4' energy: -23.476
flat angles P-C4'-P energy: -15.935
tors. eta vs tors. theta energy: -21.237
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 296
Temperature: 1.050000
Total energy: -294.527489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.527489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.527489 (E_RNA)
where:
Base-Base interactions energy: -204.673
where: short stacking energy: -88.676
Base-Backbone interact. energy: -0.158
local terms energy: -89.695969
where:
bonds (distance) C4'-P energy: -21.587
bonds (distance) P-C4' energy: -20.885
flat angles C4'-P-C4' energy: -17.401
flat angles P-C4'-P energy: -10.333
tors. eta vs tors. theta energy: -19.490
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 296
Temperature: 1.100000
Total energy: -280.041356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.041356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.041356 (E_RNA)
where:
Base-Base interactions energy: -179.706
where: short stacking energy: -83.102
Base-Backbone interact. energy: 0.119
local terms energy: -100.454308
where:
bonds (distance) C4'-P energy: -16.570
bonds (distance) P-C4' energy: -21.655
flat angles C4'-P-C4' energy: -23.301
flat angles P-C4'-P energy: -15.673
tors. eta vs tors. theta energy: -23.255
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 296
Temperature: 1.150000
Total energy: -247.693250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.693250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.693250 (E_RNA)
where:
Base-Base interactions energy: -171.581
where: short stacking energy: -70.196
Base-Backbone interact. energy: -0.299
local terms energy: -75.812597
where:
bonds (distance) C4'-P energy: -12.706
bonds (distance) P-C4' energy: -17.521
flat angles C4'-P-C4' energy: -17.550
flat angles P-C4'-P energy: -7.568
tors. eta vs tors. theta energy: -20.468
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 296
Temperature: 1.200000
Total energy: -225.539750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.539750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.539750 (E_RNA)
where:
Base-Base interactions energy: -142.109
where: short stacking energy: -72.552
Base-Backbone interact. energy: -0.550
local terms energy: -82.880708
where:
bonds (distance) C4'-P energy: -15.390
bonds (distance) P-C4' energy: -12.385
flat angles C4'-P-C4' energy: -19.638
flat angles P-C4'-P energy: -14.381
tors. eta vs tors. theta energy: -21.087
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 296
Temperature: 1.250000
Total energy: -194.715501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.715501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.715501 (E_RNA)
where:
Base-Base interactions energy: -124.228
where: short stacking energy: -52.804
Base-Backbone interact. energy: 1.532
local terms energy: -72.018981
where:
bonds (distance) C4'-P energy: -16.791
bonds (distance) P-C4' energy: -12.508
flat angles C4'-P-C4' energy: -19.198
flat angles P-C4'-P energy: -12.863
tors. eta vs tors. theta energy: -10.659
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 296
Temperature: 1.300000
Total energy: -183.263714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.263714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.263714 (E_RNA)
where:
Base-Base interactions energy: -110.386
where: short stacking energy: -54.878
Base-Backbone interact. energy: -0.314
local terms energy: -72.562960
where:
bonds (distance) C4'-P energy: -14.751
bonds (distance) P-C4' energy: -15.354
flat angles C4'-P-C4' energy: -15.994
flat angles P-C4'-P energy: -15.847
tors. eta vs tors. theta energy: -10.618
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 296
Temperature: 1.350000
Total energy: -100.304427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.304427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.304427 (E_RNA)
where:
Base-Base interactions energy: -43.647
where: short stacking energy: -40.306
Base-Backbone interact. energy: -0.113
local terms energy: -56.545188
where:
bonds (distance) C4'-P energy: -16.024
bonds (distance) P-C4' energy: -14.370
flat angles C4'-P-C4' energy: -14.500
flat angles P-C4'-P energy: -8.667
tors. eta vs tors. theta energy: -2.983
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 297
Temperature: 0.900000
Total energy: -334.111981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.111981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.111981 (E_RNA)
where:
Base-Base interactions energy: -232.197
where: short stacking energy: -95.580
Base-Backbone interact. energy: -0.966
local terms energy: -100.948978
where:
bonds (distance) C4'-P energy: -20.466
bonds (distance) P-C4' energy: -20.431
flat angles C4'-P-C4' energy: -19.516
flat angles P-C4'-P energy: -14.640
tors. eta vs tors. theta energy: -25.896
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 297
Temperature: 0.950000
Total energy: -319.676853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.676853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.676853 (E_RNA)
where:
Base-Base interactions energy: -234.242
where: short stacking energy: -90.182
Base-Backbone interact. energy: -0.896
local terms energy: -84.539147
where:
bonds (distance) C4'-P energy: -19.344
bonds (distance) P-C4' energy: -15.621
flat angles C4'-P-C4' energy: -17.725
flat angles P-C4'-P energy: -12.358
tors. eta vs tors. theta energy: -19.491
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 297
Temperature: 1.000000
Total energy: -304.696810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.696810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.696810 (E_RNA)
where:
Base-Base interactions energy: -209.996
where: short stacking energy: -90.917
Base-Backbone interact. energy: -0.066
local terms energy: -94.634123
where:
bonds (distance) C4'-P energy: -16.769
bonds (distance) P-C4' energy: -19.224
flat angles C4'-P-C4' energy: -19.985
flat angles P-C4'-P energy: -14.225
tors. eta vs tors. theta energy: -24.432
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 297
Temperature: 1.050000
Total energy: -288.025301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.025301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.025301 (E_RNA)
where:
Base-Base interactions energy: -195.011
where: short stacking energy: -84.525
Base-Backbone interact. energy: -0.757
local terms energy: -92.256677
where:
bonds (distance) C4'-P energy: -15.781
bonds (distance) P-C4' energy: -22.648
flat angles C4'-P-C4' energy: -18.342
flat angles P-C4'-P energy: -11.657
tors. eta vs tors. theta energy: -23.829
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 297
Temperature: 1.100000
Total energy: -263.266107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.266107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.266107 (E_RNA)
where:
Base-Base interactions energy: -171.404
where: short stacking energy: -80.715
Base-Backbone interact. energy: 0.053
local terms energy: -91.914487
where:
bonds (distance) C4'-P energy: -19.079
bonds (distance) P-C4' energy: -20.851
flat angles C4'-P-C4' energy: -15.667
flat angles P-C4'-P energy: -14.664
tors. eta vs tors. theta energy: -21.654
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 297
Temperature: 1.150000
Total energy: -227.183661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.183661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.183661 (E_RNA)
where:
Base-Base interactions energy: -136.329
where: short stacking energy: -73.821
Base-Backbone interact. energy: 0.011
local terms energy: -90.865955
where:
bonds (distance) C4'-P energy: -16.702
bonds (distance) P-C4' energy: -19.227
flat angles C4'-P-C4' energy: -21.215
flat angles P-C4'-P energy: -15.543
tors. eta vs tors. theta energy: -18.179
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 297
Temperature: 1.200000
Total energy: -243.201454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.201454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.201454 (E_RNA)
where:
Base-Base interactions energy: -152.454
where: short stacking energy: -69.983
Base-Backbone interact. energy: -0.050
local terms energy: -90.698137
where:
bonds (distance) C4'-P energy: -20.362
bonds (distance) P-C4' energy: -19.824
flat angles C4'-P-C4' energy: -19.038
flat angles P-C4'-P energy: -12.727
tors. eta vs tors. theta energy: -18.748
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 297
Temperature: 1.250000
Total energy: -205.799169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.799169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.799169 (E_RNA)
where:
Base-Base interactions energy: -119.360
where: short stacking energy: -68.112
Base-Backbone interact. energy: -0.331
local terms energy: -86.108428
where:
bonds (distance) C4'-P energy: -16.374
bonds (distance) P-C4' energy: -20.609
flat angles C4'-P-C4' energy: -18.085
flat angles P-C4'-P energy: -14.193
tors. eta vs tors. theta energy: -16.847
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 297
Temperature: 1.300000
Total energy: -158.009469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.009469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.009469 (E_RNA)
where:
Base-Base interactions energy: -89.713
where: short stacking energy: -41.088
Base-Backbone interact. energy: 1.799
local terms energy: -70.095760
where:
bonds (distance) C4'-P energy: -13.427
bonds (distance) P-C4' energy: -18.592
flat angles C4'-P-C4' energy: -21.122
flat angles P-C4'-P energy: -11.153
tors. eta vs tors. theta energy: -5.802
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 297
Temperature: 1.350000
Total energy: -102.879667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.879667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.879667 (E_RNA)
where:
Base-Base interactions energy: -43.511
where: short stacking energy: -40.394
Base-Backbone interact. energy: -0.038
local terms energy: -59.330034
where:
bonds (distance) C4'-P energy: -8.438
bonds (distance) P-C4' energy: -16.865
flat angles C4'-P-C4' energy: -11.887
flat angles P-C4'-P energy: -13.703
tors. eta vs tors. theta energy: -8.437
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 298
Temperature: 0.900000
Total energy: -332.467131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.467131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.467131 (E_RNA)
where:
Base-Base interactions energy: -230.429
where: short stacking energy: -96.259
Base-Backbone interact. energy: -1.275
local terms energy: -100.762876
where:
bonds (distance) C4'-P energy: -22.159
bonds (distance) P-C4' energy: -16.361
flat angles C4'-P-C4' energy: -18.207
flat angles P-C4'-P energy: -15.568
tors. eta vs tors. theta energy: -28.468
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 298
Temperature: 0.950000
Total energy: -330.731745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.731745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.731745 (E_RNA)
where:
Base-Base interactions energy: -233.647
where: short stacking energy: -90.422
Base-Backbone interact. energy: -0.922
local terms energy: -96.162527
where:
bonds (distance) C4'-P energy: -17.092
bonds (distance) P-C4' energy: -19.786
flat angles C4'-P-C4' energy: -17.810
flat angles P-C4'-P energy: -16.438
tors. eta vs tors. theta energy: -25.037
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 298
Temperature: 1.000000
Total energy: -298.220890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.220890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.220890 (E_RNA)
where:
Base-Base interactions energy: -214.140
where: short stacking energy: -100.116
Base-Backbone interact. energy: -0.398
local terms energy: -83.683090
where:
bonds (distance) C4'-P energy: -13.770
bonds (distance) P-C4' energy: -13.104
flat angles C4'-P-C4' energy: -21.885
flat angles P-C4'-P energy: -11.733
tors. eta vs tors. theta energy: -23.191
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 298
Temperature: 1.050000
Total energy: -288.441818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.441818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.441818 (E_RNA)
where:
Base-Base interactions energy: -200.510
where: short stacking energy: -77.194
Base-Backbone interact. energy: -0.303
local terms energy: -87.628249
where:
bonds (distance) C4'-P energy: -18.601
bonds (distance) P-C4' energy: -18.524
flat angles C4'-P-C4' energy: -17.563
flat angles P-C4'-P energy: -11.890
tors. eta vs tors. theta energy: -21.051
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 298
Temperature: 1.100000
Total energy: -242.194160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.194160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.194160 (E_RNA)
where:
Base-Base interactions energy: -159.913
where: short stacking energy: -84.050
Base-Backbone interact. energy: 0.800
local terms energy: -83.080569
where:
bonds (distance) C4'-P energy: -14.182
bonds (distance) P-C4' energy: -19.592
flat angles C4'-P-C4' energy: -20.307
flat angles P-C4'-P energy: -7.300
tors. eta vs tors. theta energy: -21.699
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 298
Temperature: 1.150000
Total energy: -224.265038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.265038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.265038 (E_RNA)
where:
Base-Base interactions energy: -149.936
where: short stacking energy: -73.220
Base-Backbone interact. energy: -0.754
local terms energy: -73.574672
where:
bonds (distance) C4'-P energy: -14.756
bonds (distance) P-C4' energy: -18.467
flat angles C4'-P-C4' energy: -9.201
flat angles P-C4'-P energy: -14.215
tors. eta vs tors. theta energy: -16.937
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 298
Temperature: 1.200000
Total energy: -249.927233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.927233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.927233 (E_RNA)
where:
Base-Base interactions energy: -166.270
where: short stacking energy: -74.122
Base-Backbone interact. energy: 0.140
local terms energy: -83.797516
where:
bonds (distance) C4'-P energy: -18.321
bonds (distance) P-C4' energy: -19.025
flat angles C4'-P-C4' energy: -20.676
flat angles P-C4'-P energy: -12.593
tors. eta vs tors. theta energy: -13.182
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 298
Temperature: 1.250000
Total energy: -183.786668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.786668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.786668 (E_RNA)
where:
Base-Base interactions energy: -123.296
where: short stacking energy: -43.290
Base-Backbone interact. energy: 0.248
local terms energy: -60.739065
where:
bonds (distance) C4'-P energy: -18.884
bonds (distance) P-C4' energy: -22.380
flat angles C4'-P-C4' energy: -15.097
flat angles P-C4'-P energy: -1.510
tors. eta vs tors. theta energy: -2.868
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 298
Temperature: 1.300000
Total energy: -175.036174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.036174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.036174 (E_RNA)
where:
Base-Base interactions energy: -107.184
where: short stacking energy: -52.761
Base-Backbone interact. energy: -0.189
local terms energy: -67.663458
where:
bonds (distance) C4'-P energy: -15.726
bonds (distance) P-C4' energy: -19.597
flat angles C4'-P-C4' energy: -14.273
flat angles P-C4'-P energy: -10.366
tors. eta vs tors. theta energy: -7.701
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 298
Temperature: 1.350000
Total energy: -108.752042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.752042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.752042 (E_RNA)
where:
Base-Base interactions energy: -46.025
where: short stacking energy: -30.544
Base-Backbone interact. energy: -0.024
local terms energy: -62.703078
where:
bonds (distance) C4'-P energy: -16.656
bonds (distance) P-C4' energy: -18.652
flat angles C4'-P-C4' energy: -15.525
flat angles P-C4'-P energy: -7.630
tors. eta vs tors. theta energy: -4.239
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 299
Temperature: 0.900000
Total energy: -333.678489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.678489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.678489 (E_RNA)
where:
Base-Base interactions energy: -240.757
where: short stacking energy: -106.115
Base-Backbone interact. energy: -0.852
local terms energy: -92.069037
where:
bonds (distance) C4'-P energy: -16.782
bonds (distance) P-C4' energy: -18.414
flat angles C4'-P-C4' energy: -18.340
flat angles P-C4'-P energy: -11.167
tors. eta vs tors. theta energy: -27.366
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 299
Temperature: 0.950000
Total energy: -333.501608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.501608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.501608 (E_RNA)
where:
Base-Base interactions energy: -240.730
where: short stacking energy: -98.838
Base-Backbone interact. energy: -0.992
local terms energy: -91.779314
where:
bonds (distance) C4'-P energy: -20.838
bonds (distance) P-C4' energy: -16.870
flat angles C4'-P-C4' energy: -14.544
flat angles P-C4'-P energy: -14.745
tors. eta vs tors. theta energy: -24.783
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 299
Temperature: 1.000000
Total energy: -290.667741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.667741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.667741 (E_RNA)
where:
Base-Base interactions energy: -202.250
where: short stacking energy: -85.807
Base-Backbone interact. energy: -0.225
local terms energy: -88.191972
where:
bonds (distance) C4'-P energy: -19.527
bonds (distance) P-C4' energy: -21.010
flat angles C4'-P-C4' energy: -16.587
flat angles P-C4'-P energy: -12.849
tors. eta vs tors. theta energy: -18.219
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 299
Temperature: 1.050000
Total energy: -253.265697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.265697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.265697 (E_RNA)
where:
Base-Base interactions energy: -170.882
where: short stacking energy: -79.306
Base-Backbone interact. energy: -1.242
local terms energy: -81.141992
where:
bonds (distance) C4'-P energy: -16.055
bonds (distance) P-C4' energy: -18.431
flat angles C4'-P-C4' energy: -20.220
flat angles P-C4'-P energy: -12.414
tors. eta vs tors. theta energy: -14.021
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 299
Temperature: 1.100000
Total energy: -280.776810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.776810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.776810 (E_RNA)
where:
Base-Base interactions energy: -183.161
where: short stacking energy: -84.018
Base-Backbone interact. energy: -0.790
local terms energy: -96.826586
where:
bonds (distance) C4'-P energy: -20.579
bonds (distance) P-C4' energy: -22.641
flat angles C4'-P-C4' energy: -21.351
flat angles P-C4'-P energy: -12.361
tors. eta vs tors. theta energy: -19.894
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 299
Temperature: 1.150000
Total energy: -254.366493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.366493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.366493 (E_RNA)
where:
Base-Base interactions energy: -174.277
where: short stacking energy: -71.575
Base-Backbone interact. energy: -0.336
local terms energy: -79.753582
where:
bonds (distance) C4'-P energy: -19.455
bonds (distance) P-C4' energy: -17.843
flat angles C4'-P-C4' energy: -20.069
flat angles P-C4'-P energy: -11.217
tors. eta vs tors. theta energy: -11.169
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 299
Temperature: 1.200000
Total energy: -226.718734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.718734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.718734 (E_RNA)
where:
Base-Base interactions energy: -142.569
where: short stacking energy: -60.121
Base-Backbone interact. energy: -0.084
local terms energy: -84.065091
where:
bonds (distance) C4'-P energy: -19.591
bonds (distance) P-C4' energy: -20.802
flat angles C4'-P-C4' energy: -20.315
flat angles P-C4'-P energy: -7.602
tors. eta vs tors. theta energy: -15.754
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 299
Temperature: 1.250000
Total energy: -214.391516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.391516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.391516 (E_RNA)
where:
Base-Base interactions energy: -134.732
where: short stacking energy: -68.362
Base-Backbone interact. energy: -0.287
local terms energy: -79.372536
where:
bonds (distance) C4'-P energy: -11.460
bonds (distance) P-C4' energy: -23.200
flat angles C4'-P-C4' energy: -13.059
flat angles P-C4'-P energy: -13.464
tors. eta vs tors. theta energy: -18.189
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 299
Temperature: 1.300000
Total energy: -177.634694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.634694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.634694 (E_RNA)
where:
Base-Base interactions energy: -103.381
where: short stacking energy: -42.892
Base-Backbone interact. energy: -0.693
local terms energy: -73.560571
where:
bonds (distance) C4'-P energy: -19.847
bonds (distance) P-C4' energy: -16.316
flat angles C4'-P-C4' energy: -19.941
flat angles P-C4'-P energy: -11.787
tors. eta vs tors. theta energy: -5.670
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 299
Temperature: 1.350000
Total energy: -110.187920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.187920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.187920 (E_RNA)
where:
Base-Base interactions energy: -43.625
where: short stacking energy: -43.625
Base-Backbone interact. energy: -0.454
local terms energy: -66.108498
where:
bonds (distance) C4'-P energy: -14.210
bonds (distance) P-C4' energy: -21.027
flat angles C4'-P-C4' energy: -16.541
flat angles P-C4'-P energy: -12.611
tors. eta vs tors. theta energy: -1.720
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 300
Temperature: 0.900000
Total energy: -341.504935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.504935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.504935 (E_RNA)
where:
Base-Base interactions energy: -242.380
where: short stacking energy: -100.576
Base-Backbone interact. energy: -0.278
local terms energy: -98.846761
where:
bonds (distance) C4'-P energy: -20.332
bonds (distance) P-C4' energy: -19.455
flat angles C4'-P-C4' energy: -20.511
flat angles P-C4'-P energy: -12.375
tors. eta vs tors. theta energy: -26.174
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 300
Temperature: 0.950000
Total energy: -334.461207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.461207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.461207 (E_RNA)
where:
Base-Base interactions energy: -225.924
where: short stacking energy: -101.165
Base-Backbone interact. energy: -0.893
local terms energy: -107.644529
where:
bonds (distance) C4'-P energy: -21.561
bonds (distance) P-C4' energy: -23.001
flat angles C4'-P-C4' energy: -20.354
flat angles P-C4'-P energy: -13.696
tors. eta vs tors. theta energy: -29.033
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 300
Temperature: 1.000000
Total energy: -292.299643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.299643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.299643 (E_RNA)
where:
Base-Base interactions energy: -201.247
where: short stacking energy: -84.944
Base-Backbone interact. energy: 0.456
local terms energy: -91.508698
where:
bonds (distance) C4'-P energy: -17.592
bonds (distance) P-C4' energy: -17.997
flat angles C4'-P-C4' energy: -20.136
flat angles P-C4'-P energy: -12.033
tors. eta vs tors. theta energy: -23.751
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 300
Temperature: 1.050000
Total energy: -251.635930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.635930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.635930 (E_RNA)
where:
Base-Base interactions energy: -176.196
where: short stacking energy: -70.357
Base-Backbone interact. energy: -0.111
local terms energy: -75.328977
where:
bonds (distance) C4'-P energy: -15.218
bonds (distance) P-C4' energy: -18.177
flat angles C4'-P-C4' energy: -16.067
flat angles P-C4'-P energy: -10.981
tors. eta vs tors. theta energy: -14.886
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 300
Temperature: 1.100000
Total energy: -258.770635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.770635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.770635 (E_RNA)
where:
Base-Base interactions energy: -171.754
where: short stacking energy: -80.543
Base-Backbone interact. energy: -0.137
local terms energy: -86.879430
where:
bonds (distance) C4'-P energy: -19.525
bonds (distance) P-C4' energy: -14.514
flat angles C4'-P-C4' energy: -17.634
flat angles P-C4'-P energy: -14.320
tors. eta vs tors. theta energy: -20.886
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 300
Temperature: 1.150000
Total energy: -261.957280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.957280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.957280 (E_RNA)
where:
Base-Base interactions energy: -189.674
where: short stacking energy: -75.569
Base-Backbone interact. energy: 0.439
local terms energy: -72.721702
where:
bonds (distance) C4'-P energy: -13.979
bonds (distance) P-C4' energy: -16.516
flat angles C4'-P-C4' energy: -16.048
flat angles P-C4'-P energy: -9.082
tors. eta vs tors. theta energy: -17.098
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 300
Temperature: 1.200000
Total energy: -213.680478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.680478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.680478 (E_RNA)
where:
Base-Base interactions energy: -133.805
where: short stacking energy: -62.600
Base-Backbone interact. energy: 2.579
local terms energy: -82.453818
where:
bonds (distance) C4'-P energy: -18.680
bonds (distance) P-C4' energy: -18.788
flat angles C4'-P-C4' energy: -18.349
flat angles P-C4'-P energy: -11.787
tors. eta vs tors. theta energy: -14.850
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 300
Temperature: 1.250000
Total energy: -220.273761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.273761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.273761 (E_RNA)
where:
Base-Base interactions energy: -147.061
where: short stacking energy: -52.680
Base-Backbone interact. energy: -0.569
local terms energy: -72.644205
where:
bonds (distance) C4'-P energy: -16.569
bonds (distance) P-C4' energy: -17.823
flat angles C4'-P-C4' energy: -16.353
flat angles P-C4'-P energy: -10.186
tors. eta vs tors. theta energy: -11.713
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 300
Temperature: 1.300000
Total energy: -186.184849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.184849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.184849 (E_RNA)
where:
Base-Base interactions energy: -115.533
where: short stacking energy: -54.750
Base-Backbone interact. energy: -0.236
local terms energy: -70.416478
where:
bonds (distance) C4'-P energy: -13.126
bonds (distance) P-C4' energy: -20.372
flat angles C4'-P-C4' energy: -13.970
flat angles P-C4'-P energy: -9.730
tors. eta vs tors. theta energy: -13.219
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 300
Temperature: 1.350000
Total energy: -106.965654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.965654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.965654 (E_RNA)
where:
Base-Base interactions energy: -54.112
where: short stacking energy: -53.849
Base-Backbone interact. energy: -0.147
local terms energy: -52.706703
where:
bonds (distance) C4'-P energy: -12.094
bonds (distance) P-C4' energy: -17.756
flat angles C4'-P-C4' energy: -11.867
flat angles P-C4'-P energy: -9.449
tors. eta vs tors. theta energy: -1.540
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 301
Temperature: 0.900000
Total energy: -337.278789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.278789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.278789 (E_RNA)
where:
Base-Base interactions energy: -237.064
where: short stacking energy: -107.079
Base-Backbone interact. energy: 1.103
local terms energy: -101.318615
where:
bonds (distance) C4'-P energy: -21.902
bonds (distance) P-C4' energy: -14.737
flat angles C4'-P-C4' energy: -21.397
flat angles P-C4'-P energy: -16.575
tors. eta vs tors. theta energy: -26.708
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 301
Temperature: 0.950000
Total energy: -299.677563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.677563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.677563 (E_RNA)
where:
Base-Base interactions energy: -203.093
where: short stacking energy: -88.003
Base-Backbone interact. energy: -0.540
local terms energy: -96.044603
where:
bonds (distance) C4'-P energy: -15.300
bonds (distance) P-C4' energy: -21.822
flat angles C4'-P-C4' energy: -21.687
flat angles P-C4'-P energy: -14.726
tors. eta vs tors. theta energy: -22.510
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 301
Temperature: 1.000000
Total energy: -318.345072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.345072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.345072 (E_RNA)
where:
Base-Base interactions energy: -215.490
where: short stacking energy: -98.580
Base-Backbone interact. energy: -1.411
local terms energy: -101.443942
where:
bonds (distance) C4'-P energy: -21.831
bonds (distance) P-C4' energy: -20.992
flat angles C4'-P-C4' energy: -21.697
flat angles P-C4'-P energy: -10.101
tors. eta vs tors. theta energy: -26.824
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 301
Temperature: 1.050000
Total energy: -295.268435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.268435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.268435 (E_RNA)
where:
Base-Base interactions energy: -203.931
where: short stacking energy: -92.323
Base-Backbone interact. energy: -0.901
local terms energy: -90.436689
where:
bonds (distance) C4'-P energy: -18.204
bonds (distance) P-C4' energy: -12.265
flat angles C4'-P-C4' energy: -21.921
flat angles P-C4'-P energy: -12.243
tors. eta vs tors. theta energy: -25.804
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 301
Temperature: 1.100000
Total energy: -239.369047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.369047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.369047 (E_RNA)
where:
Base-Base interactions energy: -153.998
where: short stacking energy: -68.495
Base-Backbone interact. energy: -0.132
local terms energy: -85.239118
where:
bonds (distance) C4'-P energy: -21.880
bonds (distance) P-C4' energy: -19.725
flat angles C4'-P-C4' energy: -17.181
flat angles P-C4'-P energy: -14.918
tors. eta vs tors. theta energy: -11.535
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 301
Temperature: 1.150000
Total energy: -269.634941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.634941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.634941 (E_RNA)
where:
Base-Base interactions energy: -186.396
where: short stacking energy: -75.404
Base-Backbone interact. energy: -0.396
local terms energy: -82.843159
where:
bonds (distance) C4'-P energy: -17.054
bonds (distance) P-C4' energy: -11.666
flat angles C4'-P-C4' energy: -17.472
flat angles P-C4'-P energy: -17.011
tors. eta vs tors. theta energy: -19.640
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 301
Temperature: 1.200000
Total energy: -208.526041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.526041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.526041 (E_RNA)
where:
Base-Base interactions energy: -125.925
where: short stacking energy: -72.770
Base-Backbone interact. energy: -0.070
local terms energy: -82.531166
where:
bonds (distance) C4'-P energy: -13.646
bonds (distance) P-C4' energy: -19.740
flat angles C4'-P-C4' energy: -22.626
flat angles P-C4'-P energy: -10.629
tors. eta vs tors. theta energy: -15.890
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 301
Temperature: 1.250000
Total energy: -204.417321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.417321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.417321 (E_RNA)
where:
Base-Base interactions energy: -130.239
where: short stacking energy: -57.636
Base-Backbone interact. energy: -0.208
local terms energy: -73.970220
where:
bonds (distance) C4'-P energy: -23.325
bonds (distance) P-C4' energy: -15.723
flat angles C4'-P-C4' energy: -17.524
flat angles P-C4'-P energy: -5.969
tors. eta vs tors. theta energy: -11.430
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 301
Temperature: 1.300000
Total energy: -180.007195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.007195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.007195 (E_RNA)
where:
Base-Base interactions energy: -111.038
where: short stacking energy: -59.353
Base-Backbone interact. energy: 0.476
local terms energy: -69.445948
where:
bonds (distance) C4'-P energy: -14.790
bonds (distance) P-C4' energy: -22.221
flat angles C4'-P-C4' energy: -12.521
flat angles P-C4'-P energy: -3.593
tors. eta vs tors. theta energy: -16.321
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 301
Temperature: 1.350000
Total energy: -97.879976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.879976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.879976 (E_RNA)
where:
Base-Base interactions energy: -35.591
where: short stacking energy: -35.591
Base-Backbone interact. energy: 2.384
local terms energy: -64.673343
where:
bonds (distance) C4'-P energy: -15.102
bonds (distance) P-C4' energy: -20.043
flat angles C4'-P-C4' energy: -12.757
flat angles P-C4'-P energy: -10.081
tors. eta vs tors. theta energy: -6.689
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 302
Temperature: 0.900000
Total energy: -336.721808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.721808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.721808 (E_RNA)
where:
Base-Base interactions energy: -229.345
where: short stacking energy: -92.874
Base-Backbone interact. energy: -0.829
local terms energy: -106.547375
where:
bonds (distance) C4'-P energy: -21.578
bonds (distance) P-C4' energy: -21.038
flat angles C4'-P-C4' energy: -18.565
flat angles P-C4'-P energy: -17.557
tors. eta vs tors. theta energy: -27.809
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 302
Temperature: 0.950000
Total energy: -296.438591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.438591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.438591 (E_RNA)
where:
Base-Base interactions energy: -203.753
where: short stacking energy: -91.070
Base-Backbone interact. energy: -0.688
local terms energy: -91.996986
where:
bonds (distance) C4'-P energy: -16.719
bonds (distance) P-C4' energy: -19.276
flat angles C4'-P-C4' energy: -17.820
flat angles P-C4'-P energy: -15.136
tors. eta vs tors. theta energy: -23.047
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 302
Temperature: 1.000000
Total energy: -322.629894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.629894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.629894 (E_RNA)
where:
Base-Base interactions energy: -232.952
where: short stacking energy: -96.880
Base-Backbone interact. energy: -0.252
local terms energy: -89.425689
where:
bonds (distance) C4'-P energy: -16.633
bonds (distance) P-C4' energy: -20.558
flat angles C4'-P-C4' energy: -16.056
flat angles P-C4'-P energy: -11.982
tors. eta vs tors. theta energy: -24.197
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 302
Temperature: 1.050000
Total energy: -281.521726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.521726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.521726 (E_RNA)
where:
Base-Base interactions energy: -188.008
where: short stacking energy: -79.977
Base-Backbone interact. energy: -0.487
local terms energy: -93.027257
where:
bonds (distance) C4'-P energy: -19.456
bonds (distance) P-C4' energy: -19.788
flat angles C4'-P-C4' energy: -19.185
flat angles P-C4'-P energy: -12.693
tors. eta vs tors. theta energy: -21.905
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 302
Temperature: 1.100000
Total energy: -276.248018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.248018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.248018 (E_RNA)
where:
Base-Base interactions energy: -185.976
where: short stacking energy: -84.518
Base-Backbone interact. energy: -0.497
local terms energy: -89.774357
where:
bonds (distance) C4'-P energy: -20.958
bonds (distance) P-C4' energy: -16.659
flat angles C4'-P-C4' energy: -19.952
flat angles P-C4'-P energy: -11.522
tors. eta vs tors. theta energy: -20.683
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 302
Temperature: 1.150000
Total energy: -241.425997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.425997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.425997 (E_RNA)
where:
Base-Base interactions energy: -156.200
where: short stacking energy: -76.776
Base-Backbone interact. energy: -0.725
local terms energy: -84.500754
where:
bonds (distance) C4'-P energy: -21.574
bonds (distance) P-C4' energy: -13.140
flat angles C4'-P-C4' energy: -21.551
flat angles P-C4'-P energy: -13.499
tors. eta vs tors. theta energy: -14.736
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 302
Temperature: 1.200000
Total energy: -217.806689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.806689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.806689 (E_RNA)
where:
Base-Base interactions energy: -136.629
where: short stacking energy: -67.293
Base-Backbone interact. energy: -0.776
local terms energy: -80.402117
where:
bonds (distance) C4'-P energy: -16.951
bonds (distance) P-C4' energy: -14.078
flat angles C4'-P-C4' energy: -21.048
flat angles P-C4'-P energy: -10.500
tors. eta vs tors. theta energy: -17.825
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 302
Temperature: 1.250000
Total energy: -202.871559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.871559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.871559 (E_RNA)
where:
Base-Base interactions energy: -130.493
where: short stacking energy: -63.956
Base-Backbone interact. energy: -0.173
local terms energy: -72.205466
where:
bonds (distance) C4'-P energy: -13.988
bonds (distance) P-C4' energy: -18.501
flat angles C4'-P-C4' energy: -16.424
flat angles P-C4'-P energy: -9.684
tors. eta vs tors. theta energy: -13.608
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 302
Temperature: 1.300000
Total energy: -115.623649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.623649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.623649 (E_RNA)
where:
Base-Base interactions energy: -50.310
where: short stacking energy: -48.838
Base-Backbone interact. energy: -0.167
local terms energy: -65.146514
where:
bonds (distance) C4'-P energy: -13.637
bonds (distance) P-C4' energy: -19.332
flat angles C4'-P-C4' energy: -21.296
flat angles P-C4'-P energy: -6.376
tors. eta vs tors. theta energy: -4.505
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 302
Temperature: 1.350000
Total energy: -178.109540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.109540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.109540 (E_RNA)
where:
Base-Base interactions energy: -111.576
where: short stacking energy: -63.796
Base-Backbone interact. energy: -0.216
local terms energy: -66.317269
where:
bonds (distance) C4'-P energy: -13.340
bonds (distance) P-C4' energy: -18.868
flat angles C4'-P-C4' energy: -19.713
flat angles P-C4'-P energy: -4.435
tors. eta vs tors. theta energy: -9.961
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 303
Temperature: 0.900000
Total energy: -343.895226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.895226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.895226 (E_RNA)
where:
Base-Base interactions energy: -235.800
where: short stacking energy: -102.767
Base-Backbone interact. energy: -0.722
local terms energy: -107.372406
where:
bonds (distance) C4'-P energy: -18.449
bonds (distance) P-C4' energy: -21.549
flat angles C4'-P-C4' energy: -22.848
flat angles P-C4'-P energy: -18.584
tors. eta vs tors. theta energy: -25.942
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 303
Temperature: 0.950000
Total energy: -332.693624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.693624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.693624 (E_RNA)
where:
Base-Base interactions energy: -232.464
where: short stacking energy: -92.102
Base-Backbone interact. energy: -0.675
local terms energy: -99.554416
where:
bonds (distance) C4'-P energy: -17.594
bonds (distance) P-C4' energy: -21.422
flat angles C4'-P-C4' energy: -18.353
flat angles P-C4'-P energy: -16.577
tors. eta vs tors. theta energy: -25.608
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 303
Temperature: 1.000000
Total energy: -280.801713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.801713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.801713 (E_RNA)
where:
Base-Base interactions energy: -184.488
where: short stacking energy: -82.563
Base-Backbone interact. energy: -0.197
local terms energy: -96.115997
where:
bonds (distance) C4'-P energy: -16.425
bonds (distance) P-C4' energy: -21.489
flat angles C4'-P-C4' energy: -20.225
flat angles P-C4'-P energy: -16.638
tors. eta vs tors. theta energy: -21.338
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 303
Temperature: 1.050000
Total energy: -274.423817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.423817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.423817 (E_RNA)
where:
Base-Base interactions energy: -186.759
where: short stacking energy: -85.024
Base-Backbone interact. energy: -0.303
local terms energy: -87.361549
where:
bonds (distance) C4'-P energy: -17.942
bonds (distance) P-C4' energy: -13.675
flat angles C4'-P-C4' energy: -20.781
flat angles P-C4'-P energy: -12.580
tors. eta vs tors. theta energy: -22.383
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 303
Temperature: 1.100000
Total energy: -262.930373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.930373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.930373 (E_RNA)
where:
Base-Base interactions energy: -178.804
where: short stacking energy: -80.734
Base-Backbone interact. energy: -0.246
local terms energy: -83.880579
where:
bonds (distance) C4'-P energy: -14.131
bonds (distance) P-C4' energy: -21.263
flat angles C4'-P-C4' energy: -18.247
flat angles P-C4'-P energy: -16.640
tors. eta vs tors. theta energy: -13.600
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 303
Temperature: 1.150000
Total energy: -228.477630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.477630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.477630 (E_RNA)
where:
Base-Base interactions energy: -145.504
where: short stacking energy: -82.151
Base-Backbone interact. energy: -0.091
local terms energy: -82.882580
where:
bonds (distance) C4'-P energy: -18.299
bonds (distance) P-C4' energy: -19.844
flat angles C4'-P-C4' energy: -18.435
flat angles P-C4'-P energy: -5.839
tors. eta vs tors. theta energy: -20.465
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 303
Temperature: 1.200000
Total energy: -233.438327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.438327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.438327 (E_RNA)
where:
Base-Base interactions energy: -161.334
where: short stacking energy: -68.736
Base-Backbone interact. energy: 0.083
local terms energy: -72.187026
where:
bonds (distance) C4'-P energy: -15.295
bonds (distance) P-C4' energy: -18.213
flat angles C4'-P-C4' energy: -14.286
flat angles P-C4'-P energy: -8.913
tors. eta vs tors. theta energy: -15.481
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 303
Temperature: 1.250000
Total energy: -200.306128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.306128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.306128 (E_RNA)
where:
Base-Base interactions energy: -122.591
where: short stacking energy: -64.323
Base-Backbone interact. energy: -0.123
local terms energy: -77.592006
where:
bonds (distance) C4'-P energy: -18.640
bonds (distance) P-C4' energy: -15.770
flat angles C4'-P-C4' energy: -20.112
flat angles P-C4'-P energy: -11.448
tors. eta vs tors. theta energy: -11.622
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 303
Temperature: 1.300000
Total energy: -146.485738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.485738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.485738 (E_RNA)
where:
Base-Base interactions energy: -79.228
where: short stacking energy: -43.042
Base-Backbone interact. energy: -1.290
local terms energy: -65.968550
where:
bonds (distance) C4'-P energy: -18.146
bonds (distance) P-C4' energy: -19.122
flat angles C4'-P-C4' energy: -15.625
flat angles P-C4'-P energy: -8.013
tors. eta vs tors. theta energy: -5.061
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 303
Temperature: 1.350000
Total energy: -208.017554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.017554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.017554 (E_RNA)
where:
Base-Base interactions energy: -138.909
where: short stacking energy: -73.390
Base-Backbone interact. energy: -0.503
local terms energy: -68.604980
where:
bonds (distance) C4'-P energy: -10.517
bonds (distance) P-C4' energy: -19.366
flat angles C4'-P-C4' energy: -18.215
flat angles P-C4'-P energy: -11.285
tors. eta vs tors. theta energy: -9.222
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 304
Temperature: 0.900000
Total energy: -330.577994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.577994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.577994 (E_RNA)
where:
Base-Base interactions energy: -232.886
where: short stacking energy: -104.701
Base-Backbone interact. energy: 0.397
local terms energy: -98.088582
where:
bonds (distance) C4'-P energy: -17.381
bonds (distance) P-C4' energy: -19.466
flat angles C4'-P-C4' energy: -20.819
flat angles P-C4'-P energy: -15.324
tors. eta vs tors. theta energy: -25.098
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 304
Temperature: 0.950000
Total energy: -333.410807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.410807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.410807 (E_RNA)
where:
Base-Base interactions energy: -231.592
where: short stacking energy: -100.753
Base-Backbone interact. energy: -0.897
local terms energy: -100.921945
where:
bonds (distance) C4'-P energy: -18.826
bonds (distance) P-C4' energy: -21.291
flat angles C4'-P-C4' energy: -23.375
flat angles P-C4'-P energy: -11.355
tors. eta vs tors. theta energy: -26.076
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 304
Temperature: 1.000000
Total energy: -291.537265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.537265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.537265 (E_RNA)
where:
Base-Base interactions energy: -199.076
where: short stacking energy: -81.668
Base-Backbone interact. energy: -0.238
local terms energy: -92.223616
where:
bonds (distance) C4'-P energy: -16.031
bonds (distance) P-C4' energy: -21.971
flat angles C4'-P-C4' energy: -18.983
flat angles P-C4'-P energy: -14.228
tors. eta vs tors. theta energy: -21.010
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 304
Temperature: 1.050000
Total energy: -257.570786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.570786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.570786 (E_RNA)
where:
Base-Base interactions energy: -173.915
where: short stacking energy: -68.152
Base-Backbone interact. energy: -0.299
local terms energy: -83.356523
where:
bonds (distance) C4'-P energy: -18.201
bonds (distance) P-C4' energy: -20.507
flat angles C4'-P-C4' energy: -19.931
flat angles P-C4'-P energy: -10.167
tors. eta vs tors. theta energy: -14.550
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 304
Temperature: 1.100000
Total energy: -231.498049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.498049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.498049 (E_RNA)
where:
Base-Base interactions energy: -147.245
where: short stacking energy: -74.127
Base-Backbone interact. energy: -1.107
local terms energy: -83.146375
where:
bonds (distance) C4'-P energy: -18.930
bonds (distance) P-C4' energy: -12.016
flat angles C4'-P-C4' energy: -19.443
flat angles P-C4'-P energy: -14.584
tors. eta vs tors. theta energy: -18.173
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 304
Temperature: 1.150000
Total energy: -255.460663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.460663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.460663 (E_RNA)
where:
Base-Base interactions energy: -174.628
where: short stacking energy: -79.326
Base-Backbone interact. energy: -0.164
local terms energy: -80.668572
where:
bonds (distance) C4'-P energy: -13.844
bonds (distance) P-C4' energy: -15.890
flat angles C4'-P-C4' energy: -17.921
flat angles P-C4'-P energy: -15.004
tors. eta vs tors. theta energy: -18.009
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 304
Temperature: 1.200000
Total energy: -195.473781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.473781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.473781 (E_RNA)
where:
Base-Base interactions energy: -113.277
where: short stacking energy: -56.882
Base-Backbone interact. energy: -0.030
local terms energy: -82.166692
where:
bonds (distance) C4'-P energy: -18.605
bonds (distance) P-C4' energy: -18.685
flat angles C4'-P-C4' energy: -17.796
flat angles P-C4'-P energy: -12.090
tors. eta vs tors. theta energy: -14.990
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 304
Temperature: 1.250000
Total energy: -218.980569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.980569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.980569 (E_RNA)
where:
Base-Base interactions energy: -142.823
where: short stacking energy: -64.037
Base-Backbone interact. energy: -0.328
local terms energy: -75.829408
where:
bonds (distance) C4'-P energy: -15.774
bonds (distance) P-C4' energy: -19.783
flat angles C4'-P-C4' energy: -15.609
flat angles P-C4'-P energy: -12.933
tors. eta vs tors. theta energy: -11.729
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 304
Temperature: 1.300000
Total energy: -178.474553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.474553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.474553 (E_RNA)
where:
Base-Base interactions energy: -107.439
where: short stacking energy: -59.780
Base-Backbone interact. energy: -0.170
local terms energy: -70.866145
where:
bonds (distance) C4'-P energy: -8.780
bonds (distance) P-C4' energy: -19.109
flat angles C4'-P-C4' energy: -19.398
flat angles P-C4'-P energy: -11.961
tors. eta vs tors. theta energy: -11.617
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 304
Temperature: 1.350000
Total energy: -116.664930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.664930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.664930 (E_RNA)
where:
Base-Base interactions energy: -55.214
where: short stacking energy: -26.439
Base-Backbone interact. energy: -0.802
local terms energy: -60.649064
where:
bonds (distance) C4'-P energy: -18.585
bonds (distance) P-C4' energy: -19.020
flat angles C4'-P-C4' energy: -16.777
flat angles P-C4'-P energy: -4.321
tors. eta vs tors. theta energy: -1.947
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 305
Temperature: 0.900000
Total energy: -335.162871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.162871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.162871 (E_RNA)
where:
Base-Base interactions energy: -230.429
where: short stacking energy: -90.055
Base-Backbone interact. energy: -1.057
local terms energy: -103.676213
where:
bonds (distance) C4'-P energy: -18.516
bonds (distance) P-C4' energy: -20.929
flat angles C4'-P-C4' energy: -18.959
flat angles P-C4'-P energy: -16.270
tors. eta vs tors. theta energy: -29.002
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 305
Temperature: 0.950000
Total energy: -334.402500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.402500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.402500 (E_RNA)
where:
Base-Base interactions energy: -242.808
where: short stacking energy: -96.193
Base-Backbone interact. energy: 0.076
local terms energy: -91.670059
where:
bonds (distance) C4'-P energy: -17.531
bonds (distance) P-C4' energy: -20.851
flat angles C4'-P-C4' energy: -22.523
flat angles P-C4'-P energy: -12.036
tors. eta vs tors. theta energy: -18.730
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 305
Temperature: 1.000000
Total energy: -291.101966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.101966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.101966 (E_RNA)
where:
Base-Base interactions energy: -187.722
where: short stacking energy: -89.396
Base-Backbone interact. energy: -0.083
local terms energy: -103.296129
where:
bonds (distance) C4'-P energy: -21.384
bonds (distance) P-C4' energy: -22.176
flat angles C4'-P-C4' energy: -20.051
flat angles P-C4'-P energy: -14.674
tors. eta vs tors. theta energy: -25.010
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 305
Temperature: 1.050000
Total energy: -245.848495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.848495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.848495 (E_RNA)
where:
Base-Base interactions energy: -150.831
where: short stacking energy: -83.713
Base-Backbone interact. energy: -0.739
local terms energy: -94.278382
where:
bonds (distance) C4'-P energy: -18.192
bonds (distance) P-C4' energy: -19.046
flat angles C4'-P-C4' energy: -20.494
flat angles P-C4'-P energy: -14.374
tors. eta vs tors. theta energy: -22.172
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 305
Temperature: 1.100000
Total energy: -251.247637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.247637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.247637 (E_RNA)
where:
Base-Base interactions energy: -167.114
where: short stacking energy: -76.211
Base-Backbone interact. energy: -0.256
local terms energy: -83.878436
where:
bonds (distance) C4'-P energy: -14.125
bonds (distance) P-C4' energy: -21.325
flat angles C4'-P-C4' energy: -19.006
flat angles P-C4'-P energy: -12.815
tors. eta vs tors. theta energy: -16.606
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 305
Temperature: 1.150000
Total energy: -251.890339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.890339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.890339 (E_RNA)
where:
Base-Base interactions energy: -171.626
where: short stacking energy: -72.708
Base-Backbone interact. energy: -0.124
local terms energy: -80.139897
where:
bonds (distance) C4'-P energy: -18.031
bonds (distance) P-C4' energy: -18.878
flat angles C4'-P-C4' energy: -17.116
flat angles P-C4'-P energy: -9.141
tors. eta vs tors. theta energy: -16.974
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 305
Temperature: 1.200000
Total energy: -193.281405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.281405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.281405 (E_RNA)
where:
Base-Base interactions energy: -114.581
where: short stacking energy: -62.510
Base-Backbone interact. energy: -0.254
local terms energy: -78.446872
where:
bonds (distance) C4'-P energy: -12.404
bonds (distance) P-C4' energy: -18.444
flat angles C4'-P-C4' energy: -19.226
flat angles P-C4'-P energy: -10.847
tors. eta vs tors. theta energy: -17.526
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 305
Temperature: 1.250000
Total energy: -234.702336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.702336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.702336 (E_RNA)
where:
Base-Base interactions energy: -151.733
where: short stacking energy: -59.499
Base-Backbone interact. energy: -0.205
local terms energy: -82.764023
where:
bonds (distance) C4'-P energy: -17.688
bonds (distance) P-C4' energy: -19.684
flat angles C4'-P-C4' energy: -15.599
flat angles P-C4'-P energy: -16.194
tors. eta vs tors. theta energy: -13.600
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 305
Temperature: 1.300000
Total energy: -167.828447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.828447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.828447 (E_RNA)
where:
Base-Base interactions energy: -104.126
where: short stacking energy: -59.447
Base-Backbone interact. energy: 1.086
local terms energy: -64.788127
where:
bonds (distance) C4'-P energy: -13.406
bonds (distance) P-C4' energy: -21.405
flat angles C4'-P-C4' energy: -11.418
flat angles P-C4'-P energy: -9.859
tors. eta vs tors. theta energy: -8.700
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 305
Temperature: 1.350000
Total energy: -127.474476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.474476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.474476 (E_RNA)
where:
Base-Base interactions energy: -58.796
where: short stacking energy: -50.660
Base-Backbone interact. energy: 1.214
local terms energy: -69.893094
where:
bonds (distance) C4'-P energy: -17.534
bonds (distance) P-C4' energy: -20.146
flat angles C4'-P-C4' energy: -16.642
flat angles P-C4'-P energy: -8.419
tors. eta vs tors. theta energy: -7.152
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 306
Temperature: 0.900000
Total energy: -329.072732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.072732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.072732 (E_RNA)
where:
Base-Base interactions energy: -230.655
where: short stacking energy: -92.496
Base-Backbone interact. energy: -0.969
local terms energy: -97.448701
where:
bonds (distance) C4'-P energy: -18.325
bonds (distance) P-C4' energy: -21.024
flat angles C4'-P-C4' energy: -21.873
flat angles P-C4'-P energy: -13.764
tors. eta vs tors. theta energy: -22.462
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 306
Temperature: 0.950000
Total energy: -343.560230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.560230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.560230 (E_RNA)
where:
Base-Base interactions energy: -242.231
where: short stacking energy: -95.545
Base-Backbone interact. energy: 0.101
local terms energy: -101.430551
where:
bonds (distance) C4'-P energy: -20.176
bonds (distance) P-C4' energy: -18.603
flat angles C4'-P-C4' energy: -21.415
flat angles P-C4'-P energy: -14.258
tors. eta vs tors. theta energy: -26.979
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 306
Temperature: 1.000000
Total energy: -284.858568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.858568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.858568 (E_RNA)
where:
Base-Base interactions energy: -195.491
where: short stacking energy: -87.860
Base-Backbone interact. energy: 1.204
local terms energy: -90.571568
where:
bonds (distance) C4'-P energy: -19.919
bonds (distance) P-C4' energy: -18.769
flat angles C4'-P-C4' energy: -19.086
flat angles P-C4'-P energy: -11.936
tors. eta vs tors. theta energy: -20.862
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 306
Temperature: 1.050000
Total energy: -252.662147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.662147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.662147 (E_RNA)
where:
Base-Base interactions energy: -168.206
where: short stacking energy: -78.832
Base-Backbone interact. energy: -0.939
local terms energy: -83.516348
where:
bonds (distance) C4'-P energy: -17.431
bonds (distance) P-C4' energy: -17.980
flat angles C4'-P-C4' energy: -19.167
flat angles P-C4'-P energy: -12.431
tors. eta vs tors. theta energy: -16.507
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 306
Temperature: 1.100000
Total energy: -257.632906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.632906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.632906 (E_RNA)
where:
Base-Base interactions energy: -174.022
where: short stacking energy: -91.266
Base-Backbone interact. energy: 0.256
local terms energy: -83.866849
where:
bonds (distance) C4'-P energy: -17.729
bonds (distance) P-C4' energy: -8.444
flat angles C4'-P-C4' energy: -17.728
flat angles P-C4'-P energy: -15.890
tors. eta vs tors. theta energy: -24.077
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 306
Temperature: 1.150000
Total energy: -239.616485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.616485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.616485 (E_RNA)
where:
Base-Base interactions energy: -150.604
where: short stacking energy: -73.692
Base-Backbone interact. energy: -0.137
local terms energy: -88.875510
where:
bonds (distance) C4'-P energy: -20.908
bonds (distance) P-C4' energy: -16.658
flat angles C4'-P-C4' energy: -20.919
flat angles P-C4'-P energy: -11.000
tors. eta vs tors. theta energy: -19.391
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 306
Temperature: 1.200000
Total energy: -233.156957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.156957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.156957 (E_RNA)
where:
Base-Base interactions energy: -147.929
where: short stacking energy: -68.069
Base-Backbone interact. energy: 0.719
local terms energy: -85.947428
where:
bonds (distance) C4'-P energy: -22.969
bonds (distance) P-C4' energy: -18.796
flat angles C4'-P-C4' energy: -19.053
flat angles P-C4'-P energy: -12.556
tors. eta vs tors. theta energy: -12.574
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 306
Temperature: 1.250000
Total energy: -200.744994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.744994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.744994 (E_RNA)
where:
Base-Base interactions energy: -114.786
where: short stacking energy: -64.714
Base-Backbone interact. energy: 1.176
local terms energy: -87.135866
where:
bonds (distance) C4'-P energy: -19.038
bonds (distance) P-C4' energy: -21.309
flat angles C4'-P-C4' energy: -19.801
flat angles P-C4'-P energy: -12.087
tors. eta vs tors. theta energy: -14.901
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 306
Temperature: 1.300000
Total energy: -191.015632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.015632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.015632 (E_RNA)
where:
Base-Base interactions energy: -115.673
where: short stacking energy: -68.209
Base-Backbone interact. energy: 0.514
local terms energy: -75.855946
where:
bonds (distance) C4'-P energy: -11.135
bonds (distance) P-C4' energy: -19.869
flat angles C4'-P-C4' energy: -20.539
flat angles P-C4'-P energy: -9.975
tors. eta vs tors. theta energy: -14.338
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 306
Temperature: 1.350000
Total energy: -98.815802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.815802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.815802 (E_RNA)
where:
Base-Base interactions energy: -38.453
where: short stacking energy: -20.914
Base-Backbone interact. energy: -1.119
local terms energy: -59.244313
where:
bonds (distance) C4'-P energy: -12.295
bonds (distance) P-C4' energy: -22.417
flat angles C4'-P-C4' energy: -16.517
flat angles P-C4'-P energy: -7.620
tors. eta vs tors. theta energy: -0.396
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 307
Temperature: 0.900000
Total energy: -333.413121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.413121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.413121 (E_RNA)
where:
Base-Base interactions energy: -243.718
where: short stacking energy: -100.238
Base-Backbone interact. energy: -0.588
local terms energy: -89.107232
where:
bonds (distance) C4'-P energy: -14.425
bonds (distance) P-C4' energy: -18.358
flat angles C4'-P-C4' energy: -20.294
flat angles P-C4'-P energy: -11.814
tors. eta vs tors. theta energy: -24.217
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 307
Temperature: 0.950000
Total energy: -349.111917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.111917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.111917 (E_RNA)
where:
Base-Base interactions energy: -249.341
where: short stacking energy: -100.684
Base-Backbone interact. energy: 1.290
local terms energy: -101.061295
where:
bonds (distance) C4'-P energy: -18.031
bonds (distance) P-C4' energy: -22.722
flat angles C4'-P-C4' energy: -18.200
flat angles P-C4'-P energy: -15.433
tors. eta vs tors. theta energy: -26.676
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 307
Temperature: 1.000000
Total energy: -300.989042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.989042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.989042 (E_RNA)
where:
Base-Base interactions energy: -208.582
where: short stacking energy: -98.058
Base-Backbone interact. energy: -0.772
local terms energy: -91.635594
where:
bonds (distance) C4'-P energy: -14.529
bonds (distance) P-C4' energy: -16.550
flat angles C4'-P-C4' energy: -22.632
flat angles P-C4'-P energy: -8.411
tors. eta vs tors. theta energy: -29.513
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 307
Temperature: 1.050000
Total energy: -247.845229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.845229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.845229 (E_RNA)
where:
Base-Base interactions energy: -154.972
where: short stacking energy: -83.309
Base-Backbone interact. energy: -0.285
local terms energy: -92.587892
where:
bonds (distance) C4'-P energy: -19.745
bonds (distance) P-C4' energy: -21.802
flat angles C4'-P-C4' energy: -15.144
flat angles P-C4'-P energy: -10.742
tors. eta vs tors. theta energy: -25.154
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 307
Temperature: 1.100000
Total energy: -250.199638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.199638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.199638 (E_RNA)
where:
Base-Base interactions energy: -176.396
where: short stacking energy: -68.989
Base-Backbone interact. energy: -0.065
local terms energy: -73.738516
where:
bonds (distance) C4'-P energy: -10.467
bonds (distance) P-C4' energy: -20.523
flat angles C4'-P-C4' energy: -16.103
flat angles P-C4'-P energy: -12.367
tors. eta vs tors. theta energy: -14.278
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 307
Temperature: 1.150000
Total energy: -242.822109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.822109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.822109 (E_RNA)
where:
Base-Base interactions energy: -154.292
where: short stacking energy: -76.877
Base-Backbone interact. energy: -0.146
local terms energy: -88.383511
where:
bonds (distance) C4'-P energy: -20.981
bonds (distance) P-C4' energy: -21.094
flat angles C4'-P-C4' energy: -16.665
flat angles P-C4'-P energy: -13.443
tors. eta vs tors. theta energy: -16.200
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 307
Temperature: 1.200000
Total energy: -232.749709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.749709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.749709 (E_RNA)
where:
Base-Base interactions energy: -164.859
where: short stacking energy: -67.978
Base-Backbone interact. energy: -0.051
local terms energy: -67.840167
where:
bonds (distance) C4'-P energy: -12.742
bonds (distance) P-C4' energy: -18.828
flat angles C4'-P-C4' energy: -18.597
flat angles P-C4'-P energy: -3.905
tors. eta vs tors. theta energy: -13.769
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 307
Temperature: 1.250000
Total energy: -190.020754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.020754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.020754 (E_RNA)
where:
Base-Base interactions energy: -117.737
where: short stacking energy: -63.391
Base-Backbone interact. energy: -1.183
local terms energy: -71.100734
where:
bonds (distance) C4'-P energy: -19.534
bonds (distance) P-C4' energy: -16.967
flat angles C4'-P-C4' energy: -17.251
flat angles P-C4'-P energy: -6.415
tors. eta vs tors. theta energy: -10.934
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 307
Temperature: 1.300000
Total energy: -173.979325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.979325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.979325 (E_RNA)
where:
Base-Base interactions energy: -102.930
where: short stacking energy: -46.583
Base-Backbone interact. energy: 0.031
local terms energy: -71.080205
where:
bonds (distance) C4'-P energy: -22.432
bonds (distance) P-C4' energy: -18.011
flat angles C4'-P-C4' energy: -17.967
flat angles P-C4'-P energy: -7.401
tors. eta vs tors. theta energy: -5.269
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 307
Temperature: 1.350000
Total energy: -108.391775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.391775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.391775 (E_RNA)
where:
Base-Base interactions energy: -43.645
where: short stacking energy: -43.645
Base-Backbone interact. energy: 3.799
local terms energy: -68.546048
where:
bonds (distance) C4'-P energy: -16.788
bonds (distance) P-C4' energy: -21.690
flat angles C4'-P-C4' energy: -16.326
flat angles P-C4'-P energy: -8.066
tors. eta vs tors. theta energy: -5.676
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 308
Temperature: 0.900000
Total energy: -339.347085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.347085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.347085 (E_RNA)
where:
Base-Base interactions energy: -245.583
where: short stacking energy: -101.010
Base-Backbone interact. energy: -0.705
local terms energy: -93.058951
where:
bonds (distance) C4'-P energy: -14.557
bonds (distance) P-C4' energy: -20.840
flat angles C4'-P-C4' energy: -21.460
flat angles P-C4'-P energy: -12.375
tors. eta vs tors. theta energy: -23.827
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 308
Temperature: 0.950000
Total energy: -345.688077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.688077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.688077 (E_RNA)
where:
Base-Base interactions energy: -248.083
where: short stacking energy: -92.656
Base-Backbone interact. energy: 0.498
local terms energy: -98.103919
where:
bonds (distance) C4'-P energy: -18.719
bonds (distance) P-C4' energy: -19.956
flat angles C4'-P-C4' energy: -19.523
flat angles P-C4'-P energy: -15.097
tors. eta vs tors. theta energy: -24.808
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 308
Temperature: 1.000000
Total energy: -295.381586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.381586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.381586 (E_RNA)
where:
Base-Base interactions energy: -201.194
where: short stacking energy: -94.379
Base-Backbone interact. energy: 1.600
local terms energy: -95.788350
where:
bonds (distance) C4'-P energy: -18.606
bonds (distance) P-C4' energy: -22.813
flat angles C4'-P-C4' energy: -20.940
flat angles P-C4'-P energy: -11.411
tors. eta vs tors. theta energy: -22.019
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 308
Temperature: 1.050000
Total energy: -239.445143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.445143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.445143 (E_RNA)
where:
Base-Base interactions energy: -150.887
where: short stacking energy: -80.573
Base-Backbone interact. energy: -0.508
local terms energy: -88.050430
where:
bonds (distance) C4'-P energy: -17.554
bonds (distance) P-C4' energy: -18.235
flat angles C4'-P-C4' energy: -19.898
flat angles P-C4'-P energy: -11.106
tors. eta vs tors. theta energy: -21.257
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 308
Temperature: 1.100000
Total energy: -285.437975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.437975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.437975 (E_RNA)
where:
Base-Base interactions energy: -198.466
where: short stacking energy: -81.987
Base-Backbone interact. energy: -0.093
local terms energy: -86.879298
where:
bonds (distance) C4'-P energy: -19.675
bonds (distance) P-C4' energy: -21.682
flat angles C4'-P-C4' energy: -17.664
flat angles P-C4'-P energy: -13.670
tors. eta vs tors. theta energy: -14.189
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 308
Temperature: 1.150000
Total energy: -237.141890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.141890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.141890 (E_RNA)
where:
Base-Base interactions energy: -153.762
where: short stacking energy: -70.140
Base-Backbone interact. energy: -0.150
local terms energy: -83.230083
where:
bonds (distance) C4'-P energy: -17.729
bonds (distance) P-C4' energy: -21.023
flat angles C4'-P-C4' energy: -19.627
flat angles P-C4'-P energy: -11.839
tors. eta vs tors. theta energy: -13.013
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 308
Temperature: 1.200000
Total energy: -234.853979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.853979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.853979 (E_RNA)
where:
Base-Base interactions energy: -152.389
where: short stacking energy: -70.002
Base-Backbone interact. energy: -0.506
local terms energy: -81.958939
where:
bonds (distance) C4'-P energy: -18.758
bonds (distance) P-C4' energy: -15.580
flat angles C4'-P-C4' energy: -18.385
flat angles P-C4'-P energy: -11.766
tors. eta vs tors. theta energy: -17.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 308
Temperature: 1.250000
Total energy: -202.622109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.622109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.622109 (E_RNA)
where:
Base-Base interactions energy: -136.794
where: short stacking energy: -64.033
Base-Backbone interact. energy: 0.043
local terms energy: -65.871293
where:
bonds (distance) C4'-P energy: -15.285
bonds (distance) P-C4' energy: -9.843
flat angles C4'-P-C4' energy: -20.296
flat angles P-C4'-P energy: -9.980
tors. eta vs tors. theta energy: -10.468
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 308
Temperature: 1.300000
Total energy: -119.845733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.845733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.845733 (E_RNA)
where:
Base-Base interactions energy: -49.114
where: short stacking energy: -48.776
Base-Backbone interact. energy: 0.577
local terms energy: -71.308482
where:
bonds (distance) C4'-P energy: -20.384
bonds (distance) P-C4' energy: -18.446
flat angles C4'-P-C4' energy: -12.755
flat angles P-C4'-P energy: -8.913
tors. eta vs tors. theta energy: -10.810
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 308
Temperature: 1.350000
Total energy: -207.049644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.049644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.049644 (E_RNA)
where:
Base-Base interactions energy: -127.007
where: short stacking energy: -68.156
Base-Backbone interact. energy: -0.073
local terms energy: -79.969651
where:
bonds (distance) C4'-P energy: -21.346
bonds (distance) P-C4' energy: -13.982
flat angles C4'-P-C4' energy: -16.104
flat angles P-C4'-P energy: -10.702
tors. eta vs tors. theta energy: -17.836
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 309
Temperature: 0.900000
Total energy: -334.769226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.769226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.769226 (E_RNA)
where:
Base-Base interactions energy: -233.635
where: short stacking energy: -96.001
Base-Backbone interact. energy: -0.943
local terms energy: -100.191311
where:
bonds (distance) C4'-P energy: -20.701
bonds (distance) P-C4' energy: -20.686
flat angles C4'-P-C4' energy: -19.821
flat angles P-C4'-P energy: -11.831
tors. eta vs tors. theta energy: -27.153
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 309
Temperature: 0.950000
Total energy: -344.396112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.396112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.396112 (E_RNA)
where:
Base-Base interactions energy: -247.532
where: short stacking energy: -91.121
Base-Backbone interact. energy: 0.922
local terms energy: -97.786717
where:
bonds (distance) C4'-P energy: -17.845
bonds (distance) P-C4' energy: -20.977
flat angles C4'-P-C4' energy: -20.204
flat angles P-C4'-P energy: -14.529
tors. eta vs tors. theta energy: -24.231
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 309
Temperature: 1.000000
Total energy: -295.273450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.273450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.273450 (E_RNA)
where:
Base-Base interactions energy: -200.885
where: short stacking energy: -90.287
Base-Backbone interact. energy: -0.083
local terms energy: -94.305642
where:
bonds (distance) C4'-P energy: -16.155
bonds (distance) P-C4' energy: -17.912
flat angles C4'-P-C4' energy: -21.107
flat angles P-C4'-P energy: -15.045
tors. eta vs tors. theta energy: -24.086
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 309
Temperature: 1.050000
Total energy: -316.972347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.972347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.972347 (E_RNA)
where:
Base-Base interactions energy: -232.880
where: short stacking energy: -89.606
Base-Backbone interact. energy: -0.037
local terms energy: -84.054434
where:
bonds (distance) C4'-P energy: -17.083
bonds (distance) P-C4' energy: -15.894
flat angles C4'-P-C4' energy: -18.719
flat angles P-C4'-P energy: -12.403
tors. eta vs tors. theta energy: -19.955
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 309
Temperature: 1.100000
Total energy: -235.315584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.315584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.315584 (E_RNA)
where:
Base-Base interactions energy: -154.030
where: short stacking energy: -76.210
Base-Backbone interact. energy: -0.071
local terms energy: -81.214070
where:
bonds (distance) C4'-P energy: -19.410
bonds (distance) P-C4' energy: -13.177
flat angles C4'-P-C4' energy: -20.745
flat angles P-C4'-P energy: -10.249
tors. eta vs tors. theta energy: -17.633
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 309
Temperature: 1.150000
Total energy: -231.880001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.880001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.880001 (E_RNA)
where:
Base-Base interactions energy: -152.230
where: short stacking energy: -71.524
Base-Backbone interact. energy: -0.389
local terms energy: -79.260748
where:
bonds (distance) C4'-P energy: -22.927
bonds (distance) P-C4' energy: -18.154
flat angles C4'-P-C4' energy: -18.497
flat angles P-C4'-P energy: -4.165
tors. eta vs tors. theta energy: -15.518
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 309
Temperature: 1.200000
Total energy: -242.466908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.466908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.466908 (E_RNA)
where:
Base-Base interactions energy: -157.777
where: short stacking energy: -66.751
Base-Backbone interact. energy: -0.350
local terms energy: -84.339638
where:
bonds (distance) C4'-P energy: -18.063
bonds (distance) P-C4' energy: -15.598
flat angles C4'-P-C4' energy: -20.149
flat angles P-C4'-P energy: -11.406
tors. eta vs tors. theta energy: -19.123
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 309
Temperature: 1.250000
Total energy: -194.684373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.684373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.684373 (E_RNA)
where:
Base-Base interactions energy: -113.297
where: short stacking energy: -67.000
Base-Backbone interact. energy: 0.066
local terms energy: -81.453551
where:
bonds (distance) C4'-P energy: -17.240
bonds (distance) P-C4' energy: -17.569
flat angles C4'-P-C4' energy: -14.907
flat angles P-C4'-P energy: -15.589
tors. eta vs tors. theta energy: -16.149
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 309
Temperature: 1.300000
Total energy: -94.904024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.904024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.904024 (E_RNA)
where:
Base-Base interactions energy: -39.982
where: short stacking energy: -33.227
Base-Backbone interact. energy: -0.664
local terms energy: -54.257534
where:
bonds (distance) C4'-P energy: -6.842
bonds (distance) P-C4' energy: -16.776
flat angles C4'-P-C4' energy: -20.004
flat angles P-C4'-P energy: -9.439
tors. eta vs tors. theta energy: -1.197
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 309
Temperature: 1.350000
Total energy: -173.436110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.436110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.436110 (E_RNA)
where:
Base-Base interactions energy: -94.281
where: short stacking energy: -45.904
Base-Backbone interact. energy: -0.196
local terms energy: -78.959343
where:
bonds (distance) C4'-P energy: -17.136
bonds (distance) P-C4' energy: -21.955
flat angles C4'-P-C4' energy: -21.436
flat angles P-C4'-P energy: -10.223
tors. eta vs tors. theta energy: -8.209
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 310
Temperature: 0.900000
Total energy: -355.849822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.849822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.849822 (E_RNA)
where:
Base-Base interactions energy: -254.824
where: short stacking energy: -106.957
Base-Backbone interact. energy: 1.241
local terms energy: -102.266889
where:
bonds (distance) C4'-P energy: -20.030
bonds (distance) P-C4' energy: -16.874
flat angles C4'-P-C4' energy: -20.629
flat angles P-C4'-P energy: -18.023
tors. eta vs tors. theta energy: -26.711
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 310
Temperature: 0.950000
Total energy: -326.123891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.123891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.123891 (E_RNA)
where:
Base-Base interactions energy: -228.209
where: short stacking energy: -95.752
Base-Backbone interact. energy: -0.555
local terms energy: -97.359498
where:
bonds (distance) C4'-P energy: -17.923
bonds (distance) P-C4' energy: -20.118
flat angles C4'-P-C4' energy: -17.595
flat angles P-C4'-P energy: -16.175
tors. eta vs tors. theta energy: -25.548
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 310
Temperature: 1.000000
Total energy: -302.439691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.439691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.439691 (E_RNA)
where:
Base-Base interactions energy: -215.279
where: short stacking energy: -78.187
Base-Backbone interact. energy: -1.006
local terms energy: -86.154809
where:
bonds (distance) C4'-P energy: -19.887
bonds (distance) P-C4' energy: -17.309
flat angles C4'-P-C4' energy: -19.309
flat angles P-C4'-P energy: -9.173
tors. eta vs tors. theta energy: -20.476
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 310
Temperature: 1.050000
Total energy: -296.829731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.829731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.829731 (E_RNA)
where:
Base-Base interactions energy: -205.235
where: short stacking energy: -96.502
Base-Backbone interact. energy: -0.095
local terms energy: -91.499741
where:
bonds (distance) C4'-P energy: -18.722
bonds (distance) P-C4' energy: -15.450
flat angles C4'-P-C4' energy: -20.835
flat angles P-C4'-P energy: -10.079
tors. eta vs tors. theta energy: -26.413
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 310
Temperature: 1.100000
Total energy: -242.895245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.895245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.895245 (E_RNA)
where:
Base-Base interactions energy: -156.751
where: short stacking energy: -68.100
Base-Backbone interact. energy: -0.243
local terms energy: -85.900775
where:
bonds (distance) C4'-P energy: -18.196
bonds (distance) P-C4' energy: -23.977
flat angles C4'-P-C4' energy: -16.613
flat angles P-C4'-P energy: -12.578
tors. eta vs tors. theta energy: -14.538
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 310
Temperature: 1.150000
Total energy: -229.164520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.164520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.164520 (E_RNA)
where:
Base-Base interactions energy: -145.759
where: short stacking energy: -76.166
Base-Backbone interact. energy: -0.949
local terms energy: -82.456101
where:
bonds (distance) C4'-P energy: -15.514
bonds (distance) P-C4' energy: -15.797
flat angles C4'-P-C4' energy: -13.985
flat angles P-C4'-P energy: -16.889
tors. eta vs tors. theta energy: -20.272
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 310
Temperature: 1.200000
Total energy: -235.047253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.047253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.047253 (E_RNA)
where:
Base-Base interactions energy: -160.712
where: short stacking energy: -67.660
Base-Backbone interact. energy: 1.380
local terms energy: -75.715189
where:
bonds (distance) C4'-P energy: -10.272
bonds (distance) P-C4' energy: -15.734
flat angles C4'-P-C4' energy: -13.681
flat angles P-C4'-P energy: -17.636
tors. eta vs tors. theta energy: -18.392
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 310
Temperature: 1.250000
Total energy: -197.982947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.982947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.982947 (E_RNA)
where:
Base-Base interactions energy: -121.943
where: short stacking energy: -56.780
Base-Backbone interact. energy: -0.026
local terms energy: -76.013570
where:
bonds (distance) C4'-P energy: -15.542
bonds (distance) P-C4' energy: -13.914
flat angles C4'-P-C4' energy: -20.873
flat angles P-C4'-P energy: -9.411
tors. eta vs tors. theta energy: -16.274
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 310
Temperature: 1.300000
Total energy: -174.592398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.592398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.592398 (E_RNA)
where:
Base-Base interactions energy: -107.060
where: short stacking energy: -57.631
Base-Backbone interact. energy: -0.827
local terms energy: -66.705452
where:
bonds (distance) C4'-P energy: -8.693
bonds (distance) P-C4' energy: -20.778
flat angles C4'-P-C4' energy: -18.083
flat angles P-C4'-P energy: -11.780
tors. eta vs tors. theta energy: -7.372
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 310
Temperature: 1.350000
Total energy: -101.467297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.467297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.467297 (E_RNA)
where:
Base-Base interactions energy: -40.626
where: short stacking energy: -31.548
Base-Backbone interact. energy: -0.484
local terms energy: -60.357596
where:
bonds (distance) C4'-P energy: -18.441
bonds (distance) P-C4' energy: -18.582
flat angles C4'-P-C4' energy: -10.898
flat angles P-C4'-P energy: -8.989
tors. eta vs tors. theta energy: -3.447
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 311
Temperature: 0.900000
Total energy: -357.456588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.456588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.456588 (E_RNA)
where:
Base-Base interactions energy: -252.918
where: short stacking energy: -95.273
Base-Backbone interact. energy: 0.539
local terms energy: -105.077843
where:
bonds (distance) C4'-P energy: -20.626
bonds (distance) P-C4' energy: -22.449
flat angles C4'-P-C4' energy: -21.242
flat angles P-C4'-P energy: -15.394
tors. eta vs tors. theta energy: -25.367
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 311
Temperature: 0.950000
Total energy: -328.859927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.859927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.859927 (E_RNA)
where:
Base-Base interactions energy: -223.537
where: short stacking energy: -90.998
Base-Backbone interact. energy: -1.354
local terms energy: -103.969046
where:
bonds (distance) C4'-P energy: -20.821
bonds (distance) P-C4' energy: -21.587
flat angles C4'-P-C4' energy: -19.369
flat angles P-C4'-P energy: -17.085
tors. eta vs tors. theta energy: -25.106
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 311
Temperature: 1.000000
Total energy: -306.274449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.274449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.274449 (E_RNA)
where:
Base-Base interactions energy: -217.632
where: short stacking energy: -88.554
Base-Backbone interact. energy: -0.440
local terms energy: -88.202308
where:
bonds (distance) C4'-P energy: -20.005
bonds (distance) P-C4' energy: -15.866
flat angles C4'-P-C4' energy: -20.267
flat angles P-C4'-P energy: -15.364
tors. eta vs tors. theta energy: -16.701
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 311
Temperature: 1.050000
Total energy: -294.431757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.431757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.431757 (E_RNA)
where:
Base-Base interactions energy: -191.002
where: short stacking energy: -84.557
Base-Backbone interact. energy: -0.160
local terms energy: -103.269575
where:
bonds (distance) C4'-P energy: -19.674
bonds (distance) P-C4' energy: -21.711
flat angles C4'-P-C4' energy: -23.687
flat angles P-C4'-P energy: -17.057
tors. eta vs tors. theta energy: -21.140
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 311
Temperature: 1.100000
Total energy: -249.402612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.402612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.402612 (E_RNA)
where:
Base-Base interactions energy: -166.701
where: short stacking energy: -73.537
Base-Backbone interact. energy: 0.978
local terms energy: -83.679541
where:
bonds (distance) C4'-P energy: -15.473
bonds (distance) P-C4' energy: -22.670
flat angles C4'-P-C4' energy: -17.530
flat angles P-C4'-P energy: -11.493
tors. eta vs tors. theta energy: -16.514
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 311
Temperature: 1.150000
Total energy: -244.864925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.864925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.864925 (E_RNA)
where:
Base-Base interactions energy: -151.752
where: short stacking energy: -75.330
Base-Backbone interact. energy: -0.131
local terms energy: -92.981569
where:
bonds (distance) C4'-P energy: -20.039
bonds (distance) P-C4' energy: -20.801
flat angles C4'-P-C4' energy: -13.293
flat angles P-C4'-P energy: -16.077
tors. eta vs tors. theta energy: -22.771
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 311
Temperature: 1.200000
Total energy: -211.356956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.356956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.356956 (E_RNA)
where:
Base-Base interactions energy: -138.225
where: short stacking energy: -65.412
Base-Backbone interact. energy: -0.770
local terms energy: -72.362116
where:
bonds (distance) C4'-P energy: -15.653
bonds (distance) P-C4' energy: -17.127
flat angles C4'-P-C4' energy: -16.753
flat angles P-C4'-P energy: -8.929
tors. eta vs tors. theta energy: -13.900
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 311
Temperature: 1.250000
Total energy: -201.075496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.075496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.075496 (E_RNA)
where:
Base-Base interactions energy: -116.907
where: short stacking energy: -65.277
Base-Backbone interact. energy: -0.436
local terms energy: -83.732960
where:
bonds (distance) C4'-P energy: -18.867
bonds (distance) P-C4' energy: -17.894
flat angles C4'-P-C4' energy: -17.148
flat angles P-C4'-P energy: -14.548
tors. eta vs tors. theta energy: -15.276
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 311
Temperature: 1.300000
Total energy: -189.620381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.620381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.620381 (E_RNA)
where:
Base-Base interactions energy: -118.228
where: short stacking energy: -65.851
Base-Backbone interact. energy: -1.261
local terms energy: -70.131330
where:
bonds (distance) C4'-P energy: -14.650
bonds (distance) P-C4' energy: -15.020
flat angles C4'-P-C4' energy: -16.727
flat angles P-C4'-P energy: -12.647
tors. eta vs tors. theta energy: -11.088
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 311
Temperature: 1.350000
Total energy: -97.169237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.169237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.169237 (E_RNA)
where:
Base-Base interactions energy: -29.283
where: short stacking energy: -24.896
Base-Backbone interact. energy: -0.359
local terms energy: -67.528081
where:
bonds (distance) C4'-P energy: -20.701
bonds (distance) P-C4' energy: -21.339
flat angles C4'-P-C4' energy: -17.448
flat angles P-C4'-P energy: -9.058
tors. eta vs tors. theta energy: 1.018
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 312
Temperature: 0.900000
Total energy: -356.604370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.604370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.604370 (E_RNA)
where:
Base-Base interactions energy: -250.057
where: short stacking energy: -99.182
Base-Backbone interact. energy: 1.556
local terms energy: -108.103452
where:
bonds (distance) C4'-P energy: -22.192
bonds (distance) P-C4' energy: -21.469
flat angles C4'-P-C4' energy: -21.735
flat angles P-C4'-P energy: -17.522
tors. eta vs tors. theta energy: -25.185
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 312
Temperature: 0.950000
Total energy: -330.381392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.381392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.381392 (E_RNA)
where:
Base-Base interactions energy: -232.055
where: short stacking energy: -92.907
Base-Backbone interact. energy: -0.986
local terms energy: -97.339807
where:
bonds (distance) C4'-P energy: -18.391
bonds (distance) P-C4' energy: -20.784
flat angles C4'-P-C4' energy: -18.607
flat angles P-C4'-P energy: -14.829
tors. eta vs tors. theta energy: -24.729
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 312
Temperature: 1.000000
Total energy: -304.439875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.439875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.439875 (E_RNA)
where:
Base-Base interactions energy: -201.650
where: short stacking energy: -93.458
Base-Backbone interact. energy: -0.139
local terms energy: -102.650715
where:
bonds (distance) C4'-P energy: -18.586
bonds (distance) P-C4' energy: -20.464
flat angles C4'-P-C4' energy: -23.011
flat angles P-C4'-P energy: -16.687
tors. eta vs tors. theta energy: -23.902
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 312
Temperature: 1.050000
Total energy: -319.628962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.628962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.628962 (E_RNA)
where:
Base-Base interactions energy: -227.681
where: short stacking energy: -88.024
Base-Backbone interact. energy: 0.402
local terms energy: -92.350209
where:
bonds (distance) C4'-P energy: -17.982
bonds (distance) P-C4' energy: -18.792
flat angles C4'-P-C4' energy: -20.308
flat angles P-C4'-P energy: -15.726
tors. eta vs tors. theta energy: -19.542
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 312
Temperature: 1.100000
Total energy: -251.356819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.356819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.356819 (E_RNA)
where:
Base-Base interactions energy: -164.541
where: short stacking energy: -80.828
Base-Backbone interact. energy: -0.662
local terms energy: -86.153713
where:
bonds (distance) C4'-P energy: -18.069
bonds (distance) P-C4' energy: -15.791
flat angles C4'-P-C4' energy: -20.716
flat angles P-C4'-P energy: -14.021
tors. eta vs tors. theta energy: -17.557
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 312
Temperature: 1.150000
Total energy: -259.670427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.670427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.670427 (E_RNA)
where:
Base-Base interactions energy: -180.466
where: short stacking energy: -60.885
Base-Backbone interact. energy: -0.329
local terms energy: -78.875407
where:
bonds (distance) C4'-P energy: -13.141
bonds (distance) P-C4' energy: -14.111
flat angles C4'-P-C4' energy: -17.337
flat angles P-C4'-P energy: -17.114
tors. eta vs tors. theta energy: -17.173
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 312
Temperature: 1.200000
Total energy: -203.677442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.677442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.677442 (E_RNA)
where:
Base-Base interactions energy: -119.836
where: short stacking energy: -56.799
Base-Backbone interact. energy: -0.208
local terms energy: -83.633471
where:
bonds (distance) C4'-P energy: -17.671
bonds (distance) P-C4' energy: -21.126
flat angles C4'-P-C4' energy: -19.805
flat angles P-C4'-P energy: -6.183
tors. eta vs tors. theta energy: -18.847
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 312
Temperature: 1.250000
Total energy: -197.558490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.558490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.558490 (E_RNA)
where:
Base-Base interactions energy: -122.313
where: short stacking energy: -56.546
Base-Backbone interact. energy: -1.140
local terms energy: -74.105435
where:
bonds (distance) C4'-P energy: -16.681
bonds (distance) P-C4' energy: -18.981
flat angles C4'-P-C4' energy: -19.006
flat angles P-C4'-P energy: -9.151
tors. eta vs tors. theta energy: -10.285
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 312
Temperature: 1.300000
Total energy: -204.340268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.340268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.340268 (E_RNA)
where:
Base-Base interactions energy: -123.743
where: short stacking energy: -78.035
Base-Backbone interact. energy: -0.712
local terms energy: -79.884886
where:
bonds (distance) C4'-P energy: -18.284
bonds (distance) P-C4' energy: -15.786
flat angles C4'-P-C4' energy: -15.691
flat angles P-C4'-P energy: -14.908
tors. eta vs tors. theta energy: -15.216
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 312
Temperature: 1.350000
Total energy: -92.891643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.891643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.891643 (E_RNA)
where:
Base-Base interactions energy: -38.393
where: short stacking energy: -34.126
Base-Backbone interact. energy: -0.041
local terms energy: -54.456938
where:
bonds (distance) C4'-P energy: -14.726
bonds (distance) P-C4' energy: -17.462
flat angles C4'-P-C4' energy: -6.683
flat angles P-C4'-P energy: -11.870
tors. eta vs tors. theta energy: -3.715
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 313
Temperature: 0.900000
Total energy: -358.985665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.985665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.985665 (E_RNA)
where:
Base-Base interactions energy: -247.855
where: short stacking energy: -103.252
Base-Backbone interact. energy: -0.435
local terms energy: -110.695833
where:
bonds (distance) C4'-P energy: -21.072
bonds (distance) P-C4' energy: -20.659
flat angles C4'-P-C4' energy: -23.814
flat angles P-C4'-P energy: -17.917
tors. eta vs tors. theta energy: -27.233
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 313
Temperature: 0.950000
Total energy: -331.501103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.501103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.501103 (E_RNA)
where:
Base-Base interactions energy: -238.385
where: short stacking energy: -97.801
Base-Backbone interact. energy: 2.280
local terms energy: -95.396135
where:
bonds (distance) C4'-P energy: -17.732
bonds (distance) P-C4' energy: -17.592
flat angles C4'-P-C4' energy: -19.134
flat angles P-C4'-P energy: -14.597
tors. eta vs tors. theta energy: -26.341
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 313
Temperature: 1.000000
Total energy: -305.400422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.400422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.400422 (E_RNA)
where:
Base-Base interactions energy: -205.443
where: short stacking energy: -95.744
Base-Backbone interact. energy: -0.116
local terms energy: -99.841491
where:
bonds (distance) C4'-P energy: -17.621
bonds (distance) P-C4' energy: -22.210
flat angles C4'-P-C4' energy: -19.241
flat angles P-C4'-P energy: -12.440
tors. eta vs tors. theta energy: -28.331
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 313
Temperature: 1.050000
Total energy: -325.733368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.733368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.733368 (E_RNA)
where:
Base-Base interactions energy: -231.109
where: short stacking energy: -88.363
Base-Backbone interact. energy: -0.259
local terms energy: -94.365898
where:
bonds (distance) C4'-P energy: -18.970
bonds (distance) P-C4' energy: -21.613
flat angles C4'-P-C4' energy: -20.829
flat angles P-C4'-P energy: -12.805
tors. eta vs tors. theta energy: -20.150
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 313
Temperature: 1.100000
Total energy: -263.037997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.037997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.037997 (E_RNA)
where:
Base-Base interactions energy: -172.440
where: short stacking energy: -88.057
Base-Backbone interact. energy: 0.802
local terms energy: -91.399869
where:
bonds (distance) C4'-P energy: -18.585
bonds (distance) P-C4' energy: -18.673
flat angles C4'-P-C4' energy: -16.610
flat angles P-C4'-P energy: -13.586
tors. eta vs tors. theta energy: -23.946
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 313
Temperature: 1.150000
Total energy: -247.251377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.251377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.251377 (E_RNA)
where:
Base-Base interactions energy: -163.282
where: short stacking energy: -78.306
Base-Backbone interact. energy: -0.098
local terms energy: -83.871225
where:
bonds (distance) C4'-P energy: -19.861
bonds (distance) P-C4' energy: -11.729
flat angles C4'-P-C4' energy: -18.176
flat angles P-C4'-P energy: -12.913
tors. eta vs tors. theta energy: -21.193
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 313
Temperature: 1.200000
Total energy: -205.991775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.991775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.991775 (E_RNA)
where:
Base-Base interactions energy: -127.926
where: short stacking energy: -57.443
Base-Backbone interact. energy: -0.205
local terms energy: -77.860767
where:
bonds (distance) C4'-P energy: -14.610
bonds (distance) P-C4' energy: -21.486
flat angles C4'-P-C4' energy: -19.263
flat angles P-C4'-P energy: -6.261
tors. eta vs tors. theta energy: -16.242
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 313
Temperature: 1.250000
Total energy: -198.297644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.297644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.297644 (E_RNA)
where:
Base-Base interactions energy: -126.345
where: short stacking energy: -62.015
Base-Backbone interact. energy: 0.326
local terms energy: -72.278377
where:
bonds (distance) C4'-P energy: -19.177
bonds (distance) P-C4' energy: -14.464
flat angles C4'-P-C4' energy: -16.043
flat angles P-C4'-P energy: -12.533
tors. eta vs tors. theta energy: -10.060
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 313
Temperature: 1.300000
Total energy: -169.304705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.304705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.304705 (E_RNA)
where:
Base-Base interactions energy: -97.610
where: short stacking energy: -59.442
Base-Backbone interact. energy: -0.107
local terms energy: -71.587127
where:
bonds (distance) C4'-P energy: -21.583
bonds (distance) P-C4' energy: -19.709
flat angles C4'-P-C4' energy: -12.351
flat angles P-C4'-P energy: -3.875
tors. eta vs tors. theta energy: -14.068
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 313
Temperature: 1.350000
Total energy: -102.861446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.861446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.861446 (E_RNA)
where:
Base-Base interactions energy: -49.736
where: short stacking energy: -37.895
Base-Backbone interact. energy: -0.102
local terms energy: -53.023295
where:
bonds (distance) C4'-P energy: -18.018
bonds (distance) P-C4' energy: -20.221
flat angles C4'-P-C4' energy: -9.761
flat angles P-C4'-P energy: -3.961
tors. eta vs tors. theta energy: -1.062
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 314
Temperature: 0.900000
Total energy: -366.148802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.148802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.148802 (E_RNA)
where:
Base-Base interactions energy: -264.032
where: short stacking energy: -105.742
Base-Backbone interact. energy: -0.180
local terms energy: -101.936620
where:
bonds (distance) C4'-P energy: -20.212
bonds (distance) P-C4' energy: -21.549
flat angles C4'-P-C4' energy: -22.083
flat angles P-C4'-P energy: -11.522
tors. eta vs tors. theta energy: -26.570
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 314
Temperature: 0.950000
Total energy: -330.933360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.933360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.933360 (E_RNA)
where:
Base-Base interactions energy: -229.146
where: short stacking energy: -90.960
Base-Backbone interact. energy: -0.897
local terms energy: -100.890419
where:
bonds (distance) C4'-P energy: -21.832
bonds (distance) P-C4' energy: -21.382
flat angles C4'-P-C4' energy: -22.235
flat angles P-C4'-P energy: -11.313
tors. eta vs tors. theta energy: -24.129
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 314
Temperature: 1.000000
Total energy: -324.950336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.950336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.950336 (E_RNA)
where:
Base-Base interactions energy: -231.031
where: short stacking energy: -84.247
Base-Backbone interact. energy: 1.913
local terms energy: -95.832524
where:
bonds (distance) C4'-P energy: -18.743
bonds (distance) P-C4' energy: -21.162
flat angles C4'-P-C4' energy: -20.812
flat angles P-C4'-P energy: -13.854
tors. eta vs tors. theta energy: -21.262
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 314
Temperature: 1.050000
Total energy: -287.202893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.202893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.202893 (E_RNA)
where:
Base-Base interactions energy: -197.614
where: short stacking energy: -83.674
Base-Backbone interact. energy: -1.916
local terms energy: -87.673038
where:
bonds (distance) C4'-P energy: -10.723
bonds (distance) P-C4' energy: -22.495
flat angles C4'-P-C4' energy: -20.960
flat angles P-C4'-P energy: -11.109
tors. eta vs tors. theta energy: -22.386
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 314
Temperature: 1.100000
Total energy: -266.145362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.145362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.145362 (E_RNA)
where:
Base-Base interactions energy: -181.420
where: short stacking energy: -85.227
Base-Backbone interact. energy: 0.152
local terms energy: -84.877385
where:
bonds (distance) C4'-P energy: -19.141
bonds (distance) P-C4' energy: -18.316
flat angles C4'-P-C4' energy: -18.981
flat angles P-C4'-P energy: -11.186
tors. eta vs tors. theta energy: -17.254
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 314
Temperature: 1.150000
Total energy: -257.225889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.225889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.225889 (E_RNA)
where:
Base-Base interactions energy: -159.172
where: short stacking energy: -75.785
Base-Backbone interact. energy: -0.014
local terms energy: -98.039857
where:
bonds (distance) C4'-P energy: -20.946
bonds (distance) P-C4' energy: -22.623
flat angles C4'-P-C4' energy: -19.060
flat angles P-C4'-P energy: -13.178
tors. eta vs tors. theta energy: -22.233
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 314
Temperature: 1.200000
Total energy: -193.389206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.389206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.389206 (E_RNA)
where:
Base-Base interactions energy: -129.681
where: short stacking energy: -63.037
Base-Backbone interact. energy: -0.296
local terms energy: -63.412130
where:
bonds (distance) C4'-P energy: -14.014
bonds (distance) P-C4' energy: -16.631
flat angles C4'-P-C4' energy: -21.183
flat angles P-C4'-P energy: -3.331
tors. eta vs tors. theta energy: -8.253
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 314
Temperature: 1.250000
Total energy: -205.380090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.380090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.380090 (E_RNA)
where:
Base-Base interactions energy: -125.268
where: short stacking energy: -70.778
Base-Backbone interact. energy: -0.024
local terms energy: -80.087632
where:
bonds (distance) C4'-P energy: -13.755
bonds (distance) P-C4' energy: -20.257
flat angles C4'-P-C4' energy: -17.833
flat angles P-C4'-P energy: -9.864
tors. eta vs tors. theta energy: -18.379
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 314
Temperature: 1.300000
Total energy: -166.620160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.620160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.620160 (E_RNA)
where:
Base-Base interactions energy: -99.338
where: short stacking energy: -54.257
Base-Backbone interact. energy: -1.654
local terms energy: -65.628086
where:
bonds (distance) C4'-P energy: -16.979
bonds (distance) P-C4' energy: -18.580
flat angles C4'-P-C4' energy: -12.578
flat angles P-C4'-P energy: -6.591
tors. eta vs tors. theta energy: -10.899
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 314
Temperature: 1.350000
Total energy: -111.189779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.189779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.189779 (E_RNA)
where:
Base-Base interactions energy: -46.276
where: short stacking energy: -45.596
Base-Backbone interact. energy: 1.311
local terms energy: -66.224083
where:
bonds (distance) C4'-P energy: -17.916
bonds (distance) P-C4' energy: -16.759
flat angles C4'-P-C4' energy: -14.417
flat angles P-C4'-P energy: -8.530
tors. eta vs tors. theta energy: -8.602
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 315
Temperature: 0.900000
Total energy: -353.246486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.246486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.246486 (E_RNA)
where:
Base-Base interactions energy: -252.429
where: short stacking energy: -104.395
Base-Backbone interact. energy: -0.413
local terms energy: -100.404017
where:
bonds (distance) C4'-P energy: -18.540
bonds (distance) P-C4' energy: -19.330
flat angles C4'-P-C4' energy: -20.480
flat angles P-C4'-P energy: -15.301
tors. eta vs tors. theta energy: -26.753
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 315
Temperature: 0.950000
Total energy: -336.898807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.898807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.898807 (E_RNA)
where:
Base-Base interactions energy: -239.947
where: short stacking energy: -95.762
Base-Backbone interact. energy: -0.142
local terms energy: -96.809625
where:
bonds (distance) C4'-P energy: -18.626
bonds (distance) P-C4' energy: -20.918
flat angles C4'-P-C4' energy: -20.456
flat angles P-C4'-P energy: -14.065
tors. eta vs tors. theta energy: -22.745
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 315
Temperature: 1.000000
Total energy: -320.154929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.154929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.154929 (E_RNA)
where:
Base-Base interactions energy: -225.085
where: short stacking energy: -96.127
Base-Backbone interact. energy: -0.696
local terms energy: -94.374719
where:
bonds (distance) C4'-P energy: -13.928
bonds (distance) P-C4' energy: -18.551
flat angles C4'-P-C4' energy: -22.722
flat angles P-C4'-P energy: -14.804
tors. eta vs tors. theta energy: -24.370
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 315
Temperature: 1.050000
Total energy: -272.343899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.343899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.343899 (E_RNA)
where:
Base-Base interactions energy: -182.919
where: short stacking energy: -80.022
Base-Backbone interact. energy: -0.232
local terms energy: -89.192910
where:
bonds (distance) C4'-P energy: -17.075
bonds (distance) P-C4' energy: -19.384
flat angles C4'-P-C4' energy: -17.894
flat angles P-C4'-P energy: -13.508
tors. eta vs tors. theta energy: -21.332
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 315
Temperature: 1.100000
Total energy: -286.426560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.426560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.426560 (E_RNA)
where:
Base-Base interactions energy: -203.148
where: short stacking energy: -90.119
Base-Backbone interact. energy: -0.466
local terms energy: -82.812277
where:
bonds (distance) C4'-P energy: -12.600
bonds (distance) P-C4' energy: -15.685
flat angles C4'-P-C4' energy: -22.690
flat angles P-C4'-P energy: -8.205
tors. eta vs tors. theta energy: -23.632
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 315
Temperature: 1.150000
Total energy: -236.731487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.731487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.731487 (E_RNA)
where:
Base-Base interactions energy: -140.986
where: short stacking energy: -76.975
Base-Backbone interact. energy: -0.371
local terms energy: -95.374620
where:
bonds (distance) C4'-P energy: -16.595
bonds (distance) P-C4' energy: -21.912
flat angles C4'-P-C4' energy: -19.501
flat angles P-C4'-P energy: -17.317
tors. eta vs tors. theta energy: -20.051
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 315
Temperature: 1.200000
Total energy: -219.476359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.476359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.476359 (E_RNA)
where:
Base-Base interactions energy: -139.606
where: short stacking energy: -66.002
Base-Backbone interact. energy: -0.418
local terms energy: -79.452962
where:
bonds (distance) C4'-P energy: -20.014
bonds (distance) P-C4' energy: -22.839
flat angles C4'-P-C4' energy: -11.916
flat angles P-C4'-P energy: -13.084
tors. eta vs tors. theta energy: -11.600
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 315
Temperature: 1.250000
Total energy: -194.376920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.376920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.376920 (E_RNA)
where:
Base-Base interactions energy: -124.894
where: short stacking energy: -64.743
Base-Backbone interact. energy: -0.088
local terms energy: -69.394284
where:
bonds (distance) C4'-P energy: -20.742
bonds (distance) P-C4' energy: -8.071
flat angles C4'-P-C4' energy: -17.939
flat angles P-C4'-P energy: -10.145
tors. eta vs tors. theta energy: -12.496
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 315
Temperature: 1.300000
Total energy: -189.875178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.875178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.875178 (E_RNA)
where:
Base-Base interactions energy: -111.787
where: short stacking energy: -51.446
Base-Backbone interact. energy: 0.872
local terms energy: -78.960790
where:
bonds (distance) C4'-P energy: -20.745
bonds (distance) P-C4' energy: -22.369
flat angles C4'-P-C4' energy: -17.391
flat angles P-C4'-P energy: -10.040
tors. eta vs tors. theta energy: -8.416
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 315
Temperature: 1.350000
Total energy: -110.547815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.547815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.547815 (E_RNA)
where:
Base-Base interactions energy: -52.940
where: short stacking energy: -54.240
Base-Backbone interact. energy: -0.453
local terms energy: -57.155130
where:
bonds (distance) C4'-P energy: -11.847
bonds (distance) P-C4' energy: -23.125
flat angles C4'-P-C4' energy: -5.475
flat angles P-C4'-P energy: -6.085
tors. eta vs tors. theta energy: -10.623
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 316
Temperature: 0.900000
Total energy: -356.716840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.716840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.716840 (E_RNA)
where:
Base-Base interactions energy: -250.878
where: short stacking energy: -106.990
Base-Backbone interact. energy: -0.531
local terms energy: -105.307961
where:
bonds (distance) C4'-P energy: -21.571
bonds (distance) P-C4' energy: -15.466
flat angles C4'-P-C4' energy: -21.931
flat angles P-C4'-P energy: -18.896
tors. eta vs tors. theta energy: -27.444
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 316
Temperature: 0.950000
Total energy: -347.932963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.932963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.932963 (E_RNA)
where:
Base-Base interactions energy: -248.045
where: short stacking energy: -91.942
Base-Backbone interact. energy: -0.537
local terms energy: -99.350831
where:
bonds (distance) C4'-P energy: -21.257
bonds (distance) P-C4' energy: -21.404
flat angles C4'-P-C4' energy: -19.875
flat angles P-C4'-P energy: -12.938
tors. eta vs tors. theta energy: -23.877
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 316
Temperature: 1.000000
Total energy: -317.840111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.840111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.840111 (E_RNA)
where:
Base-Base interactions energy: -222.353
where: short stacking energy: -82.368
Base-Backbone interact. energy: 1.632
local terms energy: -97.119033
where:
bonds (distance) C4'-P energy: -19.929
bonds (distance) P-C4' energy: -18.582
flat angles C4'-P-C4' energy: -19.440
flat angles P-C4'-P energy: -13.032
tors. eta vs tors. theta energy: -26.137
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 316
Temperature: 1.050000
Total energy: -276.107564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.107564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.107564 (E_RNA)
where:
Base-Base interactions energy: -183.647
where: short stacking energy: -82.815
Base-Backbone interact. energy: -0.162
local terms energy: -92.298624
where:
bonds (distance) C4'-P energy: -17.226
bonds (distance) P-C4' energy: -17.323
flat angles C4'-P-C4' energy: -23.549
flat angles P-C4'-P energy: -15.059
tors. eta vs tors. theta energy: -19.142
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 316
Temperature: 1.100000
Total energy: -282.783495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.783495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.783495 (E_RNA)
where:
Base-Base interactions energy: -188.304
where: short stacking energy: -80.598
Base-Backbone interact. energy: 0.456
local terms energy: -94.935522
where:
bonds (distance) C4'-P energy: -18.267
bonds (distance) P-C4' energy: -19.819
flat angles C4'-P-C4' energy: -19.060
flat angles P-C4'-P energy: -11.883
tors. eta vs tors. theta energy: -25.907
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 316
Temperature: 1.150000
Total energy: -237.882230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.882230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.882230 (E_RNA)
where:
Base-Base interactions energy: -152.344
where: short stacking energy: -79.362
Base-Backbone interact. energy: -0.145
local terms energy: -85.393305
where:
bonds (distance) C4'-P energy: -19.678
bonds (distance) P-C4' energy: -17.476
flat angles C4'-P-C4' energy: -16.034
flat angles P-C4'-P energy: -10.504
tors. eta vs tors. theta energy: -21.701
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 316
Temperature: 1.200000
Total energy: -218.880730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.880730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.880730 (E_RNA)
where:
Base-Base interactions energy: -136.723
where: short stacking energy: -61.476
Base-Backbone interact. energy: -0.127
local terms energy: -82.030659
where:
bonds (distance) C4'-P energy: -18.732
bonds (distance) P-C4' energy: -20.930
flat angles C4'-P-C4' energy: -13.636
flat angles P-C4'-P energy: -13.165
tors. eta vs tors. theta energy: -15.568
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 316
Temperature: 1.250000
Total energy: -166.711193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.711193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.711193 (E_RNA)
where:
Base-Base interactions energy: -99.881
where: short stacking energy: -47.769
Base-Backbone interact. energy: -1.318
local terms energy: -65.512152
where:
bonds (distance) C4'-P energy: -14.778
bonds (distance) P-C4' energy: -22.016
flat angles C4'-P-C4' energy: -10.296
flat angles P-C4'-P energy: -5.727
tors. eta vs tors. theta energy: -12.696
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 316
Temperature: 1.300000
Total energy: -104.764459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.764459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.764459 (E_RNA)
where:
Base-Base interactions energy: -36.584
where: short stacking energy: -36.584
Base-Backbone interact. energy: -0.123
local terms energy: -68.057703
where:
bonds (distance) C4'-P energy: -12.818
bonds (distance) P-C4' energy: -20.874
flat angles C4'-P-C4' energy: -19.498
flat angles P-C4'-P energy: -14.030
tors. eta vs tors. theta energy: -0.838
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 316
Temperature: 1.350000
Total energy: -153.905572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.905572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.905572 (E_RNA)
where:
Base-Base interactions energy: -86.737
where: short stacking energy: -40.939
Base-Backbone interact. energy: -0.609
local terms energy: -66.560476
where:
bonds (distance) C4'-P energy: -16.346
bonds (distance) P-C4' energy: -18.279
flat angles C4'-P-C4' energy: -20.302
flat angles P-C4'-P energy: -8.085
tors. eta vs tors. theta energy: -3.548
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 317
Temperature: 0.900000
Total energy: -357.254338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.254338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.254338 (E_RNA)
where:
Base-Base interactions energy: -249.927
where: short stacking energy: -101.295
Base-Backbone interact. energy: -0.509
local terms energy: -106.818194
where:
bonds (distance) C4'-P energy: -23.019
bonds (distance) P-C4' energy: -16.809
flat angles C4'-P-C4' energy: -22.411
flat angles P-C4'-P energy: -16.840
tors. eta vs tors. theta energy: -27.739
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 317
Temperature: 0.950000
Total energy: -331.431117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.431117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.431117 (E_RNA)
where:
Base-Base interactions energy: -228.863
where: short stacking energy: -95.769
Base-Backbone interact. energy: -1.387
local terms energy: -101.181224
where:
bonds (distance) C4'-P energy: -18.038
bonds (distance) P-C4' energy: -19.055
flat angles C4'-P-C4' energy: -22.844
flat angles P-C4'-P energy: -14.822
tors. eta vs tors. theta energy: -26.423
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 317
Temperature: 1.000000
Total energy: -330.844679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.844679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.844679 (E_RNA)
where:
Base-Base interactions energy: -239.950
where: short stacking energy: -95.698
Base-Backbone interact. energy: -0.321
local terms energy: -90.573347
where:
bonds (distance) C4'-P energy: -20.573
bonds (distance) P-C4' energy: -20.251
flat angles C4'-P-C4' energy: -16.468
flat angles P-C4'-P energy: -8.649
tors. eta vs tors. theta energy: -24.633
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 317
Temperature: 1.050000
Total energy: -268.625691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.625691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.625691 (E_RNA)
where:
Base-Base interactions energy: -187.180
where: short stacking energy: -81.423
Base-Backbone interact. energy: -0.210
local terms energy: -81.235926
where:
bonds (distance) C4'-P energy: -15.025
bonds (distance) P-C4' energy: -20.509
flat angles C4'-P-C4' energy: -16.232
flat angles P-C4'-P energy: -6.749
tors. eta vs tors. theta energy: -22.721
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 317
Temperature: 1.100000
Total energy: -255.390761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.390761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.390761 (E_RNA)
where:
Base-Base interactions energy: -177.979
where: short stacking energy: -67.797
Base-Backbone interact. energy: -1.059
local terms energy: -76.352102
where:
bonds (distance) C4'-P energy: -20.863
bonds (distance) P-C4' energy: -17.833
flat angles C4'-P-C4' energy: -12.225
flat angles P-C4'-P energy: -12.733
tors. eta vs tors. theta energy: -12.698
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 317
Temperature: 1.150000
Total energy: -251.016320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.016320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.016320 (E_RNA)
where:
Base-Base interactions energy: -166.177
where: short stacking energy: -80.821
Base-Backbone interact. energy: 0.129
local terms energy: -84.968346
where:
bonds (distance) C4'-P energy: -16.606
bonds (distance) P-C4' energy: -13.161
flat angles C4'-P-C4' energy: -18.364
flat angles P-C4'-P energy: -15.384
tors. eta vs tors. theta energy: -21.455
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 317
Temperature: 1.200000
Total energy: -230.428639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.428639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.428639 (E_RNA)
where:
Base-Base interactions energy: -153.012
where: short stacking energy: -81.708
Base-Backbone interact. energy: -0.295
local terms energy: -77.121716
where:
bonds (distance) C4'-P energy: -12.818
bonds (distance) P-C4' energy: -12.948
flat angles C4'-P-C4' energy: -19.216
flat angles P-C4'-P energy: -9.434
tors. eta vs tors. theta energy: -22.706
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 317
Temperature: 1.250000
Total energy: -207.968260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.968260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.968260 (E_RNA)
where:
Base-Base interactions energy: -141.080
where: short stacking energy: -59.293
Base-Backbone interact. energy: 1.236
local terms energy: -68.124482
where:
bonds (distance) C4'-P energy: -17.369
bonds (distance) P-C4' energy: -19.622
flat angles C4'-P-C4' energy: -14.389
flat angles P-C4'-P energy: -7.656
tors. eta vs tors. theta energy: -9.089
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 317
Temperature: 1.300000
Total energy: -108.896472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.896472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.896472 (E_RNA)
where:
Base-Base interactions energy: -44.951
where: short stacking energy: -38.461
Base-Backbone interact. energy: -0.264
local terms energy: -63.681703
where:
bonds (distance) C4'-P energy: -11.879
bonds (distance) P-C4' energy: -22.018
flat angles C4'-P-C4' energy: -12.671
flat angles P-C4'-P energy: -10.658
tors. eta vs tors. theta energy: -6.456
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 317
Temperature: 1.350000
Total energy: -95.417958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.417958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.417958 (E_RNA)
where:
Base-Base interactions energy: -32.693
where: short stacking energy: -32.693
Base-Backbone interact. energy: 1.832
local terms energy: -64.556386
where:
bonds (distance) C4'-P energy: -13.382
bonds (distance) P-C4' energy: -22.427
flat angles C4'-P-C4' energy: -12.428
flat angles P-C4'-P energy: -11.811
tors. eta vs tors. theta energy: -4.509
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 318
Temperature: 0.900000
Total energy: -325.351579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.351579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.351579 (E_RNA)
where:
Base-Base interactions energy: -229.611
where: short stacking energy: -89.691
Base-Backbone interact. energy: -1.440
local terms energy: -94.299945
where:
bonds (distance) C4'-P energy: -18.053
bonds (distance) P-C4' energy: -15.965
flat angles C4'-P-C4' energy: -20.903
flat angles P-C4'-P energy: -13.505
tors. eta vs tors. theta energy: -25.874
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 318
Temperature: 0.950000
Total energy: -346.972100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.972100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.972100 (E_RNA)
where:
Base-Base interactions energy: -250.792
where: short stacking energy: -98.642
Base-Backbone interact. energy: 0.341
local terms energy: -96.520534
where:
bonds (distance) C4'-P energy: -21.584
bonds (distance) P-C4' energy: -18.110
flat angles C4'-P-C4' energy: -16.102
flat angles P-C4'-P energy: -13.523
tors. eta vs tors. theta energy: -27.201
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 318
Temperature: 1.000000
Total energy: -338.754362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.754362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.754362 (E_RNA)
where:
Base-Base interactions energy: -243.757
where: short stacking energy: -97.742
Base-Backbone interact. energy: -0.560
local terms energy: -94.437399
where:
bonds (distance) C4'-P energy: -18.703
bonds (distance) P-C4' energy: -14.753
flat angles C4'-P-C4' energy: -23.705
flat angles P-C4'-P energy: -16.214
tors. eta vs tors. theta energy: -21.063
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 318
Temperature: 1.050000
Total energy: -277.724889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.724889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.724889 (E_RNA)
where:
Base-Base interactions energy: -188.155
where: short stacking energy: -91.904
Base-Backbone interact. energy: -0.572
local terms energy: -88.998787
where:
bonds (distance) C4'-P energy: -17.923
bonds (distance) P-C4' energy: -15.121
flat angles C4'-P-C4' energy: -20.506
flat angles P-C4'-P energy: -10.518
tors. eta vs tors. theta energy: -24.933
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 318
Temperature: 1.100000
Total energy: -261.771813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.771813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.771813 (E_RNA)
where:
Base-Base interactions energy: -163.484
where: short stacking energy: -89.578
Base-Backbone interact. energy: 2.064
local terms energy: -100.351209
where:
bonds (distance) C4'-P energy: -20.954
bonds (distance) P-C4' energy: -21.322
flat angles C4'-P-C4' energy: -19.976
flat angles P-C4'-P energy: -12.778
tors. eta vs tors. theta energy: -25.322
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 318
Temperature: 1.150000
Total energy: -241.555739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.555739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.555739 (E_RNA)
where:
Base-Base interactions energy: -156.073
where: short stacking energy: -62.629
Base-Backbone interact. energy: -0.201
local terms energy: -85.281138
where:
bonds (distance) C4'-P energy: -15.457
bonds (distance) P-C4' energy: -21.560
flat angles C4'-P-C4' energy: -18.544
flat angles P-C4'-P energy: -14.924
tors. eta vs tors. theta energy: -14.797
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 318
Temperature: 1.200000
Total energy: -230.984792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.984792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.984792 (E_RNA)
where:
Base-Base interactions energy: -149.439
where: short stacking energy: -64.219
Base-Backbone interact. energy: -0.606
local terms energy: -80.939704
where:
bonds (distance) C4'-P energy: -17.862
bonds (distance) P-C4' energy: -17.103
flat angles C4'-P-C4' energy: -18.978
flat angles P-C4'-P energy: -11.724
tors. eta vs tors. theta energy: -15.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 318
Temperature: 1.250000
Total energy: -208.386325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.386325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.386325 (E_RNA)
where:
Base-Base interactions energy: -132.086
where: short stacking energy: -60.449
Base-Backbone interact. energy: -0.349
local terms energy: -75.951201
where:
bonds (distance) C4'-P energy: -18.372
bonds (distance) P-C4' energy: -14.487
flat angles C4'-P-C4' energy: -15.001
flat angles P-C4'-P energy: -15.745
tors. eta vs tors. theta energy: -12.347
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 318
Temperature: 1.300000
Total energy: -111.693361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.693361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.693361 (E_RNA)
where:
Base-Base interactions energy: -45.266
where: short stacking energy: -35.702
Base-Backbone interact. energy: -0.278
local terms energy: -66.149581
where:
bonds (distance) C4'-P energy: -18.982
bonds (distance) P-C4' energy: -18.002
flat angles C4'-P-C4' energy: -13.920
flat angles P-C4'-P energy: -7.534
tors. eta vs tors. theta energy: -7.712
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 318
Temperature: 1.350000
Total energy: -106.080924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.080924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.080924 (E_RNA)
where:
Base-Base interactions energy: -47.152
where: short stacking energy: -39.297
Base-Backbone interact. energy: 0.420
local terms energy: -59.348834
where:
bonds (distance) C4'-P energy: -17.223
bonds (distance) P-C4' energy: -16.717
flat angles C4'-P-C4' energy: -14.228
flat angles P-C4'-P energy: -9.433
tors. eta vs tors. theta energy: -1.748
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 319
Temperature: 0.900000
Total energy: -337.321456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.321456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.321456 (E_RNA)
where:
Base-Base interactions energy: -226.858
where: short stacking energy: -89.522
Base-Backbone interact. energy: -0.631
local terms energy: -109.832483
where:
bonds (distance) C4'-P energy: -20.908
bonds (distance) P-C4' energy: -19.909
flat angles C4'-P-C4' energy: -22.698
flat angles P-C4'-P energy: -16.195
tors. eta vs tors. theta energy: -30.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 319
Temperature: 0.950000
Total energy: -336.469971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.469971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.469971 (E_RNA)
where:
Base-Base interactions energy: -244.142
where: short stacking energy: -98.317
Base-Backbone interact. energy: -0.547
local terms energy: -91.781222
where:
bonds (distance) C4'-P energy: -17.633
bonds (distance) P-C4' energy: -18.421
flat angles C4'-P-C4' energy: -19.086
flat angles P-C4'-P energy: -11.916
tors. eta vs tors. theta energy: -24.725
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 319
Temperature: 1.000000
Total energy: -341.371764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.371764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.371764 (E_RNA)
where:
Base-Base interactions energy: -246.142
where: short stacking energy: -97.094
Base-Backbone interact. energy: -1.040
local terms energy: -94.189729
where:
bonds (distance) C4'-P energy: -14.722
bonds (distance) P-C4' energy: -13.937
flat angles C4'-P-C4' energy: -21.955
flat angles P-C4'-P energy: -17.047
tors. eta vs tors. theta energy: -26.528
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 319
Temperature: 1.050000
Total energy: -264.534629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.534629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.534629 (E_RNA)
where:
Base-Base interactions energy: -171.794
where: short stacking energy: -92.302
Base-Backbone interact. energy: -0.268
local terms energy: -92.472770
where:
bonds (distance) C4'-P energy: -18.350
bonds (distance) P-C4' energy: -12.904
flat angles C4'-P-C4' energy: -20.302
flat angles P-C4'-P energy: -13.897
tors. eta vs tors. theta energy: -27.021
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 319
Temperature: 1.100000
Total energy: -284.894426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.894426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.894426 (E_RNA)
where:
Base-Base interactions energy: -194.464
where: short stacking energy: -85.875
Base-Backbone interact. energy: -0.530
local terms energy: -89.900438
where:
bonds (distance) C4'-P energy: -17.447
bonds (distance) P-C4' energy: -19.798
flat angles C4'-P-C4' energy: -20.122
flat angles P-C4'-P energy: -10.327
tors. eta vs tors. theta energy: -22.206
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 319
Temperature: 1.150000
Total energy: -279.843353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.843353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.843353 (E_RNA)
where:
Base-Base interactions energy: -186.439
where: short stacking energy: -81.930
Base-Backbone interact. energy: -1.282
local terms energy: -92.122872
where:
bonds (distance) C4'-P energy: -21.260
bonds (distance) P-C4' energy: -19.778
flat angles C4'-P-C4' energy: -20.551
flat angles P-C4'-P energy: -8.732
tors. eta vs tors. theta energy: -21.802
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 319
Temperature: 1.200000
Total energy: -235.265859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.265859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.265859 (E_RNA)
where:
Base-Base interactions energy: -149.342
where: short stacking energy: -69.346
Base-Backbone interact. energy: -0.105
local terms energy: -85.818841
where:
bonds (distance) C4'-P energy: -14.463
bonds (distance) P-C4' energy: -19.396
flat angles C4'-P-C4' energy: -18.916
flat angles P-C4'-P energy: -13.446
tors. eta vs tors. theta energy: -19.597
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 319
Temperature: 1.250000
Total energy: -218.552890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.552890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.552890 (E_RNA)
where:
Base-Base interactions energy: -129.125
where: short stacking energy: -66.553
Base-Backbone interact. energy: -2.607
local terms energy: -86.821491
where:
bonds (distance) C4'-P energy: -20.110
bonds (distance) P-C4' energy: -21.529
flat angles C4'-P-C4' energy: -18.725
flat angles P-C4'-P energy: -11.558
tors. eta vs tors. theta energy: -14.899
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 319
Temperature: 1.300000
Total energy: -110.530600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.530600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.530600 (E_RNA)
where:
Base-Base interactions energy: -35.933
where: short stacking energy: -34.302
Base-Backbone interact. energy: -0.509
local terms energy: -74.088874
where:
bonds (distance) C4'-P energy: -19.148
bonds (distance) P-C4' energy: -21.983
flat angles C4'-P-C4' energy: -17.746
flat angles P-C4'-P energy: -13.207
tors. eta vs tors. theta energy: -2.006
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 319
Temperature: 1.350000
Total energy: -125.498584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.498584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.498584 (E_RNA)
where:
Base-Base interactions energy: -56.097
where: short stacking energy: -39.933
Base-Backbone interact. energy: -0.330
local terms energy: -69.072044
where:
bonds (distance) C4'-P energy: -17.580
bonds (distance) P-C4' energy: -17.167
flat angles C4'-P-C4' energy: -13.577
flat angles P-C4'-P energy: -10.956
tors. eta vs tors. theta energy: -9.792
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 320
Temperature: 0.900000
Total energy: -345.318214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.318214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.318214 (E_RNA)
where:
Base-Base interactions energy: -246.767
where: short stacking energy: -101.943
Base-Backbone interact. energy: 0.415
local terms energy: -98.965749
where:
bonds (distance) C4'-P energy: -16.030
bonds (distance) P-C4' energy: -21.140
flat angles C4'-P-C4' energy: -21.346
flat angles P-C4'-P energy: -16.302
tors. eta vs tors. theta energy: -24.147
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 320
Temperature: 0.950000
Total energy: -328.353603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.353603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.353603 (E_RNA)
where:
Base-Base interactions energy: -232.890
where: short stacking energy: -95.046
Base-Backbone interact. energy: -1.599
local terms energy: -93.864806
where:
bonds (distance) C4'-P energy: -15.254
bonds (distance) P-C4' energy: -21.366
flat angles C4'-P-C4' energy: -18.013
flat angles P-C4'-P energy: -14.304
tors. eta vs tors. theta energy: -24.928
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 320
Temperature: 1.000000
Total energy: -340.436729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.436729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.436729 (E_RNA)
where:
Base-Base interactions energy: -241.920
where: short stacking energy: -94.170
Base-Backbone interact. energy: -0.683
local terms energy: -97.833868
where:
bonds (distance) C4'-P energy: -18.825
bonds (distance) P-C4' energy: -14.065
flat angles C4'-P-C4' energy: -22.829
flat angles P-C4'-P energy: -17.004
tors. eta vs tors. theta energy: -25.111
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 320
Temperature: 1.050000
Total energy: -274.727790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.727790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.727790 (E_RNA)
where:
Base-Base interactions energy: -184.153
where: short stacking energy: -92.733
Base-Backbone interact. energy: -0.129
local terms energy: -90.446377
where:
bonds (distance) C4'-P energy: -14.586
bonds (distance) P-C4' energy: -19.210
flat angles C4'-P-C4' energy: -20.453
flat angles P-C4'-P energy: -14.666
tors. eta vs tors. theta energy: -21.531
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 320
Temperature: 1.100000
Total energy: -274.872541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.872541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.872541 (E_RNA)
where:
Base-Base interactions energy: -184.865
where: short stacking energy: -88.672
Base-Backbone interact. energy: -0.125
local terms energy: -89.882172
where:
bonds (distance) C4'-P energy: -14.855
bonds (distance) P-C4' energy: -20.333
flat angles C4'-P-C4' energy: -16.219
flat angles P-C4'-P energy: -13.684
tors. eta vs tors. theta energy: -24.791
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 320
Temperature: 1.150000
Total energy: -266.064493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.064493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.064493 (E_RNA)
where:
Base-Base interactions energy: -185.271
where: short stacking energy: -70.677
Base-Backbone interact. energy: -0.482
local terms energy: -80.311664
where:
bonds (distance) C4'-P energy: -11.873
bonds (distance) P-C4' energy: -16.627
flat angles C4'-P-C4' energy: -18.799
flat angles P-C4'-P energy: -16.712
tors. eta vs tors. theta energy: -16.300
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 320
Temperature: 1.200000
Total energy: -246.220128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.220128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.220128 (E_RNA)
where:
Base-Base interactions energy: -167.702
where: short stacking energy: -74.446
Base-Backbone interact. energy: -0.050
local terms energy: -78.468057
where:
bonds (distance) C4'-P energy: -17.216
bonds (distance) P-C4' energy: -15.563
flat angles C4'-P-C4' energy: -11.227
flat angles P-C4'-P energy: -15.152
tors. eta vs tors. theta energy: -19.310
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 320
Temperature: 1.250000
Total energy: -186.905582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.905582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.905582 (E_RNA)
where:
Base-Base interactions energy: -118.333
where: short stacking energy: -50.755
Base-Backbone interact. energy: -0.190
local terms energy: -68.382538
where:
bonds (distance) C4'-P energy: -11.557
bonds (distance) P-C4' energy: -21.397
flat angles C4'-P-C4' energy: -14.124
flat angles P-C4'-P energy: -12.656
tors. eta vs tors. theta energy: -8.648
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 320
Temperature: 1.300000
Total energy: -107.034400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.034400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.034400 (E_RNA)
where:
Base-Base interactions energy: -42.898
where: short stacking energy: -39.076
Base-Backbone interact. energy: 0.083
local terms energy: -64.219210
where:
bonds (distance) C4'-P energy: -15.638
bonds (distance) P-C4' energy: -22.758
flat angles C4'-P-C4' energy: -10.689
flat angles P-C4'-P energy: -12.278
tors. eta vs tors. theta energy: -2.856
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 320
Temperature: 1.350000
Total energy: -99.440874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.440874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.440874 (E_RNA)
where:
Base-Base interactions energy: -37.076
where: short stacking energy: -24.640
Base-Backbone interact. energy: -0.192
local terms energy: -62.173174
where:
bonds (distance) C4'-P energy: -18.191
bonds (distance) P-C4' energy: -20.333
flat angles C4'-P-C4' energy: -14.918
flat angles P-C4'-P energy: -9.042
tors. eta vs tors. theta energy: 0.311
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 321
Temperature: 0.900000
Total energy: -352.610508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.610508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.610508 (E_RNA)
where:
Base-Base interactions energy: -254.821
where: short stacking energy: -104.974
Base-Backbone interact. energy: -0.505
local terms energy: -97.284599
where:
bonds (distance) C4'-P energy: -20.602
bonds (distance) P-C4' energy: -16.114
flat angles C4'-P-C4' energy: -22.083
flat angles P-C4'-P energy: -14.684
tors. eta vs tors. theta energy: -23.801
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 321
Temperature: 0.950000
Total energy: -350.355178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.355178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.355178 (E_RNA)
where:
Base-Base interactions energy: -252.120
where: short stacking energy: -95.024
Base-Backbone interact. energy: 1.751
local terms energy: -99.986469
where:
bonds (distance) C4'-P energy: -17.236
bonds (distance) P-C4' energy: -20.574
flat angles C4'-P-C4' energy: -23.881
flat angles P-C4'-P energy: -14.470
tors. eta vs tors. theta energy: -23.825
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 321
Temperature: 1.000000
Total energy: -325.330063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.330063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.330063 (E_RNA)
where:
Base-Base interactions energy: -230.491
where: short stacking energy: -87.666
Base-Backbone interact. energy: -0.690
local terms energy: -94.149669
where:
bonds (distance) C4'-P energy: -15.890
bonds (distance) P-C4' energy: -21.275
flat angles C4'-P-C4' energy: -16.605
flat angles P-C4'-P energy: -14.927
tors. eta vs tors. theta energy: -25.454
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 321
Temperature: 1.050000
Total energy: -249.727293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.727293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.727293 (E_RNA)
where:
Base-Base interactions energy: -155.787
where: short stacking energy: -79.225
Base-Backbone interact. energy: 0.414
local terms energy: -94.354338
where:
bonds (distance) C4'-P energy: -19.177
bonds (distance) P-C4' energy: -21.173
flat angles C4'-P-C4' energy: -21.139
flat angles P-C4'-P energy: -13.753
tors. eta vs tors. theta energy: -19.112
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 321
Temperature: 1.100000
Total energy: -261.557176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.557176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.557176 (E_RNA)
where:
Base-Base interactions energy: -164.517
where: short stacking energy: -89.332
Base-Backbone interact. energy: -1.760
local terms energy: -95.279581
where:
bonds (distance) C4'-P energy: -22.287
bonds (distance) P-C4' energy: -19.199
flat angles C4'-P-C4' energy: -19.976
flat angles P-C4'-P energy: -8.638
tors. eta vs tors. theta energy: -25.180
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 321
Temperature: 1.150000
Total energy: -257.737620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.737620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.737620 (E_RNA)
where:
Base-Base interactions energy: -175.741
where: short stacking energy: -81.055
Base-Backbone interact. energy: -0.020
local terms energy: -81.977092
where:
bonds (distance) C4'-P energy: -17.885
bonds (distance) P-C4' energy: -18.039
flat angles C4'-P-C4' energy: -15.989
flat angles P-C4'-P energy: -9.244
tors. eta vs tors. theta energy: -20.820
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 321
Temperature: 1.200000
Total energy: -250.376964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.376964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.376964 (E_RNA)
where:
Base-Base interactions energy: -169.480
where: short stacking energy: -70.842
Base-Backbone interact. energy: -0.213
local terms energy: -80.683409
where:
bonds (distance) C4'-P energy: -20.048
bonds (distance) P-C4' energy: -17.907
flat angles C4'-P-C4' energy: -18.082
flat angles P-C4'-P energy: -11.735
tors. eta vs tors. theta energy: -12.911
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 321
Temperature: 1.250000
Total energy: -204.082450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.082450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.082450 (E_RNA)
where:
Base-Base interactions energy: -122.541
where: short stacking energy: -61.608
Base-Backbone interact. energy: 3.525
local terms energy: -85.066512
where:
bonds (distance) C4'-P energy: -16.726
bonds (distance) P-C4' energy: -21.221
flat angles C4'-P-C4' energy: -19.659
flat angles P-C4'-P energy: -12.341
tors. eta vs tors. theta energy: -15.120
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 321
Temperature: 1.300000
Total energy: -103.751488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.751488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.751488 (E_RNA)
where:
Base-Base interactions energy: -31.619
where: short stacking energy: -28.431
Base-Backbone interact. energy: -0.441
local terms energy: -71.692267
where:
bonds (distance) C4'-P energy: -17.066
bonds (distance) P-C4' energy: -15.086
flat angles C4'-P-C4' energy: -17.386
flat angles P-C4'-P energy: -17.519
tors. eta vs tors. theta energy: -4.634
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 321
Temperature: 1.350000
Total energy: -111.694693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.694693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.694693 (E_RNA)
where:
Base-Base interactions energy: -49.983
where: short stacking energy: -34.940
Base-Backbone interact. energy: 1.994
local terms energy: -63.705967
where:
bonds (distance) C4'-P energy: -14.877
bonds (distance) P-C4' energy: -19.493
flat angles C4'-P-C4' energy: -9.553
flat angles P-C4'-P energy: -10.987
tors. eta vs tors. theta energy: -8.797
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 322
Temperature: 0.900000
Total energy: -350.989332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.989332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.989332 (E_RNA)
where:
Base-Base interactions energy: -254.728
where: short stacking energy: -111.205
Base-Backbone interact. energy: -0.476
local terms energy: -95.785548
where:
bonds (distance) C4'-P energy: -18.981
bonds (distance) P-C4' energy: -15.322
flat angles C4'-P-C4' energy: -22.032
flat angles P-C4'-P energy: -13.451
tors. eta vs tors. theta energy: -25.999
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 322
Temperature: 0.950000
Total energy: -353.331815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.331815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.331815 (E_RNA)
where:
Base-Base interactions energy: -253.257
where: short stacking energy: -98.445
Base-Backbone interact. energy: 1.065
local terms energy: -101.139776
where:
bonds (distance) C4'-P energy: -22.605
bonds (distance) P-C4' energy: -19.213
flat angles C4'-P-C4' energy: -19.490
flat angles P-C4'-P energy: -14.192
tors. eta vs tors. theta energy: -25.639
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 322
Temperature: 1.000000
Total energy: -321.833842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.833842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.833842 (E_RNA)
where:
Base-Base interactions energy: -220.492
where: short stacking energy: -91.818
Base-Backbone interact. energy: -0.979
local terms energy: -100.362855
where:
bonds (distance) C4'-P energy: -21.751
bonds (distance) P-C4' energy: -19.470
flat angles C4'-P-C4' energy: -17.456
flat angles P-C4'-P energy: -14.380
tors. eta vs tors. theta energy: -27.306
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 322
Temperature: 1.050000
Total energy: -248.817570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.817570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.817570 (E_RNA)
where:
Base-Base interactions energy: -169.799
where: short stacking energy: -72.505
Base-Backbone interact. energy: -0.933
local terms energy: -78.084730
where:
bonds (distance) C4'-P energy: -16.135
bonds (distance) P-C4' energy: -19.870
flat angles C4'-P-C4' energy: -16.830
flat angles P-C4'-P energy: -11.137
tors. eta vs tors. theta energy: -14.112
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 322
Temperature: 1.100000
Total energy: -272.846436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.846436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.846436 (E_RNA)
where:
Base-Base interactions energy: -189.526
where: short stacking energy: -78.130
Base-Backbone interact. energy: -0.611
local terms energy: -82.709423
where:
bonds (distance) C4'-P energy: -12.861
bonds (distance) P-C4' energy: -19.495
flat angles C4'-P-C4' energy: -15.780
flat angles P-C4'-P energy: -12.696
tors. eta vs tors. theta energy: -21.877
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 322
Temperature: 1.150000
Total energy: -244.603851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.603851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.603851 (E_RNA)
where:
Base-Base interactions energy: -161.447
where: short stacking energy: -73.730
Base-Backbone interact. energy: -0.304
local terms energy: -82.853080
where:
bonds (distance) C4'-P energy: -12.272
bonds (distance) P-C4' energy: -19.244
flat angles C4'-P-C4' energy: -18.197
flat angles P-C4'-P energy: -16.523
tors. eta vs tors. theta energy: -16.616
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 322
Temperature: 1.200000
Total energy: -242.637675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.637675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.637675 (E_RNA)
where:
Base-Base interactions energy: -156.965
where: short stacking energy: -72.051
Base-Backbone interact. energy: -1.091
local terms energy: -84.581376
where:
bonds (distance) C4'-P energy: -17.745
bonds (distance) P-C4' energy: -20.878
flat angles C4'-P-C4' energy: -18.535
flat angles P-C4'-P energy: -11.544
tors. eta vs tors. theta energy: -15.880
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 322
Temperature: 1.250000
Total energy: -215.921931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.921931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.921931 (E_RNA)
where:
Base-Base interactions energy: -143.445
where: short stacking energy: -78.717
Base-Backbone interact. energy: -1.002
local terms energy: -71.474847
where:
bonds (distance) C4'-P energy: -11.053
bonds (distance) P-C4' energy: -13.717
flat angles C4'-P-C4' energy: -18.042
flat angles P-C4'-P energy: -10.439
tors. eta vs tors. theta energy: -18.224
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 322
Temperature: 1.300000
Total energy: -104.947937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.947937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.947937 (E_RNA)
where:
Base-Base interactions energy: -36.567
where: short stacking energy: -36.567
Base-Backbone interact. energy: -0.151
local terms energy: -68.229026
where:
bonds (distance) C4'-P energy: -21.297
bonds (distance) P-C4' energy: -19.530
flat angles C4'-P-C4' energy: -17.115
flat angles P-C4'-P energy: -11.148
tors. eta vs tors. theta energy: 0.861
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 322
Temperature: 1.350000
Total energy: -104.549363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.549363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.549363 (E_RNA)
where:
Base-Base interactions energy: -44.459
where: short stacking energy: -23.181
Base-Backbone interact. energy: -0.439
local terms energy: -59.651610
where:
bonds (distance) C4'-P energy: -16.017
bonds (distance) P-C4' energy: -18.921
flat angles C4'-P-C4' energy: -13.018
flat angles P-C4'-P energy: -10.029
tors. eta vs tors. theta energy: -1.666
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 323
Temperature: 0.900000
Total energy: -340.270889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.270889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.270889 (E_RNA)
where:
Base-Base interactions energy: -240.407
where: short stacking energy: -94.311
Base-Backbone interact. energy: -2.345
local terms energy: -97.519454
where:
bonds (distance) C4'-P energy: -16.858
bonds (distance) P-C4' energy: -22.553
flat angles C4'-P-C4' energy: -21.794
flat angles P-C4'-P energy: -12.781
tors. eta vs tors. theta energy: -23.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 323
Temperature: 0.950000
Total energy: -350.075322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.075322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.075322 (E_RNA)
where:
Base-Base interactions energy: -243.062
where: short stacking energy: -92.331
Base-Backbone interact. energy: -0.224
local terms energy: -106.789654
where:
bonds (distance) C4'-P energy: -19.889
bonds (distance) P-C4' energy: -19.630
flat angles C4'-P-C4' energy: -22.886
flat angles P-C4'-P energy: -17.445
tors. eta vs tors. theta energy: -26.940
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 323
Temperature: 1.000000
Total energy: -320.827896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.827896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.827896 (E_RNA)
where:
Base-Base interactions energy: -222.908
where: short stacking energy: -89.001
Base-Backbone interact. energy: -1.457
local terms energy: -96.462525
where:
bonds (distance) C4'-P energy: -20.230
bonds (distance) P-C4' energy: -18.761
flat angles C4'-P-C4' energy: -16.679
flat angles P-C4'-P energy: -13.566
tors. eta vs tors. theta energy: -27.226
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 323
Temperature: 1.050000
Total energy: -278.629913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.629913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.629913 (E_RNA)
where:
Base-Base interactions energy: -188.189
where: short stacking energy: -86.284
Base-Backbone interact. energy: -0.693
local terms energy: -89.747960
where:
bonds (distance) C4'-P energy: -13.780
bonds (distance) P-C4' energy: -21.937
flat angles C4'-P-C4' energy: -23.305
flat angles P-C4'-P energy: -11.596
tors. eta vs tors. theta energy: -19.129
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 323
Temperature: 1.100000
Total energy: -250.588853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.588853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.588853 (E_RNA)
where:
Base-Base interactions energy: -164.709
where: short stacking energy: -72.329
Base-Backbone interact. energy: 0.335
local terms energy: -86.215156
where:
bonds (distance) C4'-P energy: -19.964
bonds (distance) P-C4' energy: -21.152
flat angles C4'-P-C4' energy: -19.631
flat angles P-C4'-P energy: -11.368
tors. eta vs tors. theta energy: -14.100
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 323
Temperature: 1.150000
Total energy: -245.168606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.168606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.168606 (E_RNA)
where:
Base-Base interactions energy: -151.469
where: short stacking energy: -75.578
Base-Backbone interact. energy: -0.126
local terms energy: -93.573633
where:
bonds (distance) C4'-P energy: -21.840
bonds (distance) P-C4' energy: -18.466
flat angles C4'-P-C4' energy: -20.693
flat angles P-C4'-P energy: -15.116
tors. eta vs tors. theta energy: -17.459
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 323
Temperature: 1.200000
Total energy: -206.156742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.156742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.156742 (E_RNA)
where:
Base-Base interactions energy: -123.850
where: short stacking energy: -69.350
Base-Backbone interact. energy: -0.407
local terms energy: -81.900068
where:
bonds (distance) C4'-P energy: -19.864
bonds (distance) P-C4' energy: -12.877
flat angles C4'-P-C4' energy: -15.213
flat angles P-C4'-P energy: -15.157
tors. eta vs tors. theta energy: -18.789
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 323
Temperature: 1.250000
Total energy: -135.642858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.642858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.642858 (E_RNA)
where:
Base-Base interactions energy: -60.064
where: short stacking energy: -57.309
Base-Backbone interact. energy: -0.169
local terms energy: -75.409650
where:
bonds (distance) C4'-P energy: -18.804
bonds (distance) P-C4' energy: -19.041
flat angles C4'-P-C4' energy: -16.476
flat angles P-C4'-P energy: -8.660
tors. eta vs tors. theta energy: -12.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 323
Temperature: 1.300000
Total energy: -194.479027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.479027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.479027 (E_RNA)
where:
Base-Base interactions energy: -121.981
where: short stacking energy: -56.183
Base-Backbone interact. energy: -1.220
local terms energy: -71.277787
where:
bonds (distance) C4'-P energy: -19.074
bonds (distance) P-C4' energy: -18.132
flat angles C4'-P-C4' energy: -11.996
flat angles P-C4'-P energy: -10.908
tors. eta vs tors. theta energy: -11.167
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 323
Temperature: 1.350000
Total energy: -138.850983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.850983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.850983 (E_RNA)
where:
Base-Base interactions energy: -79.118
where: short stacking energy: -35.873
Base-Backbone interact. energy: -0.313
local terms energy: -59.419205
where:
bonds (distance) C4'-P energy: -13.695
bonds (distance) P-C4' energy: -23.047
flat angles C4'-P-C4' energy: -15.829
flat angles P-C4'-P energy: -9.708
tors. eta vs tors. theta energy: 2.860
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 324
Temperature: 0.900000
Total energy: -358.360638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.360638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.360638 (E_RNA)
where:
Base-Base interactions energy: -251.536
where: short stacking energy: -104.750
Base-Backbone interact. energy: -0.538
local terms energy: -106.286675
where:
bonds (distance) C4'-P energy: -19.136
bonds (distance) P-C4' energy: -20.337
flat angles C4'-P-C4' energy: -22.404
flat angles P-C4'-P energy: -17.443
tors. eta vs tors. theta energy: -26.966
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 324
Temperature: 0.950000
Total energy: -342.053303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.053303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.053303 (E_RNA)
where:
Base-Base interactions energy: -248.910
where: short stacking energy: -94.921
Base-Backbone interact. energy: -0.475
local terms energy: -92.668497
where:
bonds (distance) C4'-P energy: -20.572
bonds (distance) P-C4' energy: -14.642
flat angles C4'-P-C4' energy: -21.201
flat angles P-C4'-P energy: -13.780
tors. eta vs tors. theta energy: -22.472
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 324
Temperature: 1.000000
Total energy: -319.228937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.228937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.228937 (E_RNA)
where:
Base-Base interactions energy: -219.815
where: short stacking energy: -92.792
Base-Backbone interact. energy: -0.717
local terms energy: -98.696642
where:
bonds (distance) C4'-P energy: -18.325
bonds (distance) P-C4' energy: -21.921
flat angles C4'-P-C4' energy: -19.631
flat angles P-C4'-P energy: -11.414
tors. eta vs tors. theta energy: -27.406
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 324
Temperature: 1.050000
Total energy: -285.571539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.571539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.571539 (E_RNA)
where:
Base-Base interactions energy: -195.753
where: short stacking energy: -82.017
Base-Backbone interact. energy: -0.442
local terms energy: -89.376195
where:
bonds (distance) C4'-P energy: -19.864
bonds (distance) P-C4' energy: -16.431
flat angles C4'-P-C4' energy: -19.528
flat angles P-C4'-P energy: -10.997
tors. eta vs tors. theta energy: -22.557
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 324
Temperature: 1.100000
Total energy: -252.921315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.921315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.921315 (E_RNA)
where:
Base-Base interactions energy: -162.976
where: short stacking energy: -71.496
Base-Backbone interact. energy: -0.833
local terms energy: -89.112458
where:
bonds (distance) C4'-P energy: -18.267
bonds (distance) P-C4' energy: -22.324
flat angles C4'-P-C4' energy: -19.985
flat angles P-C4'-P energy: -12.140
tors. eta vs tors. theta energy: -16.396
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 324
Temperature: 1.150000
Total energy: -238.050904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.050904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.050904 (E_RNA)
where:
Base-Base interactions energy: -154.473
where: short stacking energy: -54.983
Base-Backbone interact. energy: -0.140
local terms energy: -83.437750
where:
bonds (distance) C4'-P energy: -19.091
bonds (distance) P-C4' energy: -19.528
flat angles C4'-P-C4' energy: -20.601
flat angles P-C4'-P energy: -10.830
tors. eta vs tors. theta energy: -13.387
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 324
Temperature: 1.200000
Total energy: -141.117037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.117037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.117037 (E_RNA)
where:
Base-Base interactions energy: -66.023
where: short stacking energy: -46.585
Base-Backbone interact. energy: -0.292
local terms energy: -74.802165
where:
bonds (distance) C4'-P energy: -15.320
bonds (distance) P-C4' energy: -21.261
flat angles C4'-P-C4' energy: -18.174
flat angles P-C4'-P energy: -9.142
tors. eta vs tors. theta energy: -10.906
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 324
Temperature: 1.250000
Total energy: -200.096508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.096508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.096508 (E_RNA)
where:
Base-Base interactions energy: -129.233
where: short stacking energy: -62.928
Base-Backbone interact. energy: -0.455
local terms energy: -70.408363
where:
bonds (distance) C4'-P energy: -17.492
bonds (distance) P-C4' energy: -11.260
flat angles C4'-P-C4' energy: -15.672
flat angles P-C4'-P energy: -16.618
tors. eta vs tors. theta energy: -9.367
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 324
Temperature: 1.300000
Total energy: -206.972906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.972906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.972906 (E_RNA)
where:
Base-Base interactions energy: -130.873
where: short stacking energy: -60.542
Base-Backbone interact. energy: -0.544
local terms energy: -75.555841
where:
bonds (distance) C4'-P energy: -21.814
bonds (distance) P-C4' energy: -16.355
flat angles C4'-P-C4' energy: -12.325
flat angles P-C4'-P energy: -9.958
tors. eta vs tors. theta energy: -15.103
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 324
Temperature: 1.350000
Total energy: -113.188255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.188255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.188255 (E_RNA)
where:
Base-Base interactions energy: -60.695
where: short stacking energy: -29.990
Base-Backbone interact. energy: 0.496
local terms energy: -52.988520
where:
bonds (distance) C4'-P energy: -17.598
bonds (distance) P-C4' energy: -12.971
flat angles C4'-P-C4' energy: -15.101
flat angles P-C4'-P energy: -9.390
tors. eta vs tors. theta energy: 2.071
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 325
Temperature: 0.900000
Total energy: -353.060712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.060712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.060712 (E_RNA)
where:
Base-Base interactions energy: -253.377
where: short stacking energy: -101.492
Base-Backbone interact. energy: 0.993
local terms energy: -100.675874
where:
bonds (distance) C4'-P energy: -21.214
bonds (distance) P-C4' energy: -13.312
flat angles C4'-P-C4' energy: -21.332
flat angles P-C4'-P energy: -17.391
tors. eta vs tors. theta energy: -27.427
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 325
Temperature: 0.950000
Total energy: -343.635553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.635553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.635553 (E_RNA)
where:
Base-Base interactions energy: -250.375
where: short stacking energy: -99.874
Base-Backbone interact. energy: 1.421
local terms energy: -94.681361
where:
bonds (distance) C4'-P energy: -17.309
bonds (distance) P-C4' energy: -17.076
flat angles C4'-P-C4' energy: -21.808
flat angles P-C4'-P energy: -15.553
tors. eta vs tors. theta energy: -22.937
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 325
Temperature: 1.000000
Total energy: -325.480163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.480163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.480163 (E_RNA)
where:
Base-Base interactions energy: -222.866
where: short stacking energy: -85.226
Base-Backbone interact. energy: -1.192
local terms energy: -101.422936
where:
bonds (distance) C4'-P energy: -21.362
bonds (distance) P-C4' energy: -19.661
flat angles C4'-P-C4' energy: -19.612
flat angles P-C4'-P energy: -15.235
tors. eta vs tors. theta energy: -25.553
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 325
Temperature: 1.050000
Total energy: -281.944148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.944148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.944148 (E_RNA)
where:
Base-Base interactions energy: -193.232
where: short stacking energy: -86.364
Base-Backbone interact. energy: -0.118
local terms energy: -88.593296
where:
bonds (distance) C4'-P energy: -22.568
bonds (distance) P-C4' energy: -18.579
flat angles C4'-P-C4' energy: -18.449
flat angles P-C4'-P energy: -9.492
tors. eta vs tors. theta energy: -19.505
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 325
Temperature: 1.100000
Total energy: -243.606718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.606718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.606718 (E_RNA)
where:
Base-Base interactions energy: -154.597
where: short stacking energy: -70.568
Base-Backbone interact. energy: 0.713
local terms energy: -89.723274
where:
bonds (distance) C4'-P energy: -18.635
bonds (distance) P-C4' energy: -19.968
flat angles C4'-P-C4' energy: -19.709
flat angles P-C4'-P energy: -12.922
tors. eta vs tors. theta energy: -18.489
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 325
Temperature: 1.150000
Total energy: -246.514928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.514928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.514928 (E_RNA)
where:
Base-Base interactions energy: -169.029
where: short stacking energy: -70.583
Base-Backbone interact. energy: -0.160
local terms energy: -77.325926
where:
bonds (distance) C4'-P energy: -17.762
bonds (distance) P-C4' energy: -16.698
flat angles C4'-P-C4' energy: -18.782
flat angles P-C4'-P energy: -9.413
tors. eta vs tors. theta energy: -14.671
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 325
Temperature: 1.200000
Total energy: -125.695125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.695125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.695125 (E_RNA)
where:
Base-Base interactions energy: -47.992
where: short stacking energy: -46.706
Base-Backbone interact. energy: -0.889
local terms energy: -76.814916
where:
bonds (distance) C4'-P energy: -18.142
bonds (distance) P-C4' energy: -21.550
flat angles C4'-P-C4' energy: -19.921
flat angles P-C4'-P energy: -9.015
tors. eta vs tors. theta energy: -8.187
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 325
Temperature: 1.250000
Total energy: -234.576102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.576102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.576102 (E_RNA)
where:
Base-Base interactions energy: -160.714
where: short stacking energy: -67.841
Base-Backbone interact. energy: 0.800
local terms energy: -74.662197
where:
bonds (distance) C4'-P energy: -17.678
bonds (distance) P-C4' energy: -15.996
flat angles C4'-P-C4' energy: -17.485
flat angles P-C4'-P energy: -11.129
tors. eta vs tors. theta energy: -12.374
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 325
Temperature: 1.300000
Total energy: -197.488660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.488660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.488660 (E_RNA)
where:
Base-Base interactions energy: -117.190
where: short stacking energy: -51.137
Base-Backbone interact. energy: -0.760
local terms energy: -79.539022
where:
bonds (distance) C4'-P energy: -19.202
bonds (distance) P-C4' energy: -19.104
flat angles C4'-P-C4' energy: -17.401
flat angles P-C4'-P energy: -13.228
tors. eta vs tors. theta energy: -10.603
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 325
Temperature: 1.350000
Total energy: -115.984301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.984301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.984301 (E_RNA)
where:
Base-Base interactions energy: -60.735
where: short stacking energy: -38.657
Base-Backbone interact. energy: -0.863
local terms energy: -54.385836
where:
bonds (distance) C4'-P energy: -8.814
bonds (distance) P-C4' energy: -16.219
flat angles C4'-P-C4' energy: -16.803
flat angles P-C4'-P energy: -12.342
tors. eta vs tors. theta energy: -0.208
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 326
Temperature: 0.900000
Total energy: -353.608053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.608053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.608053 (E_RNA)
where:
Base-Base interactions energy: -258.737
where: short stacking energy: -99.634
Base-Backbone interact. energy: 1.060
local terms energy: -95.931348
where:
bonds (distance) C4'-P energy: -18.718
bonds (distance) P-C4' energy: -19.276
flat angles C4'-P-C4' energy: -19.576
flat angles P-C4'-P energy: -14.136
tors. eta vs tors. theta energy: -24.225
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 326
Temperature: 0.950000
Total energy: -338.866505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.866505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.866505 (E_RNA)
where:
Base-Base interactions energy: -246.673
where: short stacking energy: -96.496
Base-Backbone interact. energy: 2.216
local terms energy: -94.409185
where:
bonds (distance) C4'-P energy: -19.761
bonds (distance) P-C4' energy: -19.046
flat angles C4'-P-C4' energy: -21.780
flat angles P-C4'-P energy: -11.857
tors. eta vs tors. theta energy: -21.964
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 326
Temperature: 1.000000
Total energy: -327.803402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.803402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.803402 (E_RNA)
where:
Base-Base interactions energy: -228.570
where: short stacking energy: -90.254
Base-Backbone interact. energy: -1.760
local terms energy: -97.474051
where:
bonds (distance) C4'-P energy: -18.254
bonds (distance) P-C4' energy: -21.542
flat angles C4'-P-C4' energy: -20.807
flat angles P-C4'-P energy: -12.128
tors. eta vs tors. theta energy: -24.742
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 326
Temperature: 1.050000
Total energy: -286.688213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.688213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.688213 (E_RNA)
where:
Base-Base interactions energy: -202.008
where: short stacking energy: -92.085
Base-Backbone interact. energy: -0.508
local terms energy: -84.172061
where:
bonds (distance) C4'-P energy: -17.304
bonds (distance) P-C4' energy: -19.345
flat angles C4'-P-C4' energy: -19.693
flat angles P-C4'-P energy: -6.544
tors. eta vs tors. theta energy: -21.286
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 326
Temperature: 1.100000
Total energy: -241.131693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.131693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.131693 (E_RNA)
where:
Base-Base interactions energy: -156.313
where: short stacking energy: -60.378
Base-Backbone interact. energy: -0.403
local terms energy: -84.415333
where:
bonds (distance) C4'-P energy: -17.815
bonds (distance) P-C4' energy: -20.551
flat angles C4'-P-C4' energy: -22.035
flat angles P-C4'-P energy: -12.531
tors. eta vs tors. theta energy: -11.484
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 326
Temperature: 1.150000
Total energy: -246.956087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.956087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.956087 (E_RNA)
where:
Base-Base interactions energy: -161.247
where: short stacking energy: -89.959
Base-Backbone interact. energy: -0.124
local terms energy: -85.585315
where:
bonds (distance) C4'-P energy: -10.049
bonds (distance) P-C4' energy: -18.060
flat angles C4'-P-C4' energy: -18.860
flat angles P-C4'-P energy: -14.558
tors. eta vs tors. theta energy: -24.058
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 326
Temperature: 1.200000
Total energy: -229.031399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.031399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.031399 (E_RNA)
where:
Base-Base interactions energy: -153.306
where: short stacking energy: -70.237
Base-Backbone interact. energy: -1.651
local terms energy: -74.074651
where:
bonds (distance) C4'-P energy: -11.041
bonds (distance) P-C4' energy: -16.391
flat angles C4'-P-C4' energy: -17.468
flat angles P-C4'-P energy: -10.468
tors. eta vs tors. theta energy: -18.708
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 326
Temperature: 1.250000
Total energy: -129.976917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.976917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.976917 (E_RNA)
where:
Base-Base interactions energy: -62.182
where: short stacking energy: -51.095
Base-Backbone interact. energy: -0.360
local terms energy: -67.434260
where:
bonds (distance) C4'-P energy: -18.910
bonds (distance) P-C4' energy: -15.165
flat angles C4'-P-C4' energy: -14.608
flat angles P-C4'-P energy: -7.948
tors. eta vs tors. theta energy: -10.804
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 326
Temperature: 1.300000
Total energy: -202.355435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.355435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.355435 (E_RNA)
where:
Base-Base interactions energy: -128.925
where: short stacking energy: -69.320
Base-Backbone interact. energy: -0.255
local terms energy: -73.174959
where:
bonds (distance) C4'-P energy: -11.951
bonds (distance) P-C4' energy: -12.862
flat angles C4'-P-C4' energy: -18.450
flat angles P-C4'-P energy: -11.347
tors. eta vs tors. theta energy: -18.565
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 326
Temperature: 1.350000
Total energy: -105.635726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.635726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.635726 (E_RNA)
where:
Base-Base interactions energy: -44.589
where: short stacking energy: -42.193
Base-Backbone interact. energy: -0.187
local terms energy: -60.859267
where:
bonds (distance) C4'-P energy: -5.773
bonds (distance) P-C4' energy: -18.513
flat angles C4'-P-C4' energy: -17.411
flat angles P-C4'-P energy: -11.793
tors. eta vs tors. theta energy: -7.370
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 327
Temperature: 0.900000
Total energy: -356.370919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.370919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.370919 (E_RNA)
where:
Base-Base interactions energy: -251.400
where: short stacking energy: -100.790
Base-Backbone interact. energy: 1.192
local terms energy: -106.162740
where:
bonds (distance) C4'-P energy: -21.238
bonds (distance) P-C4' energy: -19.781
flat angles C4'-P-C4' energy: -21.364
flat angles P-C4'-P energy: -16.968
tors. eta vs tors. theta energy: -26.811
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 327
Temperature: 0.950000
Total energy: -326.561805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.561805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.561805 (E_RNA)
where:
Base-Base interactions energy: -219.596
where: short stacking energy: -95.987
Base-Backbone interact. energy: -0.587
local terms energy: -106.379416
where:
bonds (distance) C4'-P energy: -21.832
bonds (distance) P-C4' energy: -21.961
flat angles C4'-P-C4' energy: -21.270
flat angles P-C4'-P energy: -16.200
tors. eta vs tors. theta energy: -25.116
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 327
Temperature: 1.000000
Total energy: -334.690557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.690557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.690557 (E_RNA)
where:
Base-Base interactions energy: -237.965
where: short stacking energy: -96.072
Base-Backbone interact. energy: -0.007
local terms energy: -96.718719
where:
bonds (distance) C4'-P energy: -16.611
bonds (distance) P-C4' energy: -22.126
flat angles C4'-P-C4' energy: -21.608
flat angles P-C4'-P energy: -11.738
tors. eta vs tors. theta energy: -24.636
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 327
Temperature: 1.050000
Total energy: -294.649479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.649479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.649479 (E_RNA)
where:
Base-Base interactions energy: -200.554
where: short stacking energy: -85.749
Base-Backbone interact. energy: -0.698
local terms energy: -93.397404
where:
bonds (distance) C4'-P energy: -13.328
bonds (distance) P-C4' energy: -20.158
flat angles C4'-P-C4' energy: -21.760
flat angles P-C4'-P energy: -14.167
tors. eta vs tors. theta energy: -23.984
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 327
Temperature: 1.100000
Total energy: -257.124666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.124666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.124666 (E_RNA)
where:
Base-Base interactions energy: -166.419
where: short stacking energy: -72.253
Base-Backbone interact. energy: -0.114
local terms energy: -90.591742
where:
bonds (distance) C4'-P energy: -20.953
bonds (distance) P-C4' energy: -20.148
flat angles C4'-P-C4' energy: -19.313
flat angles P-C4'-P energy: -13.749
tors. eta vs tors. theta energy: -16.428
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 327
Temperature: 1.150000
Total energy: -234.867746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.867746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.867746 (E_RNA)
where:
Base-Base interactions energy: -150.307
where: short stacking energy: -64.909
Base-Backbone interact. energy: -0.156
local terms energy: -84.404506
where:
bonds (distance) C4'-P energy: -17.734
bonds (distance) P-C4' energy: -19.728
flat angles C4'-P-C4' energy: -17.206
flat angles P-C4'-P energy: -12.804
tors. eta vs tors. theta energy: -16.932
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 327
Temperature: 1.200000
Total energy: -226.005965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.005965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.005965 (E_RNA)
where:
Base-Base interactions energy: -148.551
where: short stacking energy: -76.938
Base-Backbone interact. energy: -0.087
local terms energy: -77.367754
where:
bonds (distance) C4'-P energy: -16.503
bonds (distance) P-C4' energy: -17.879
flat angles C4'-P-C4' energy: -11.116
flat angles P-C4'-P energy: -13.512
tors. eta vs tors. theta energy: -18.357
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 327
Temperature: 1.250000
Total energy: -204.179516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.179516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.179516 (E_RNA)
where:
Base-Base interactions energy: -132.951
where: short stacking energy: -68.676
Base-Backbone interact. energy: -0.946
local terms energy: -70.282091
where:
bonds (distance) C4'-P energy: -18.441
bonds (distance) P-C4' energy: -11.186
flat angles C4'-P-C4' energy: -20.246
flat angles P-C4'-P energy: -7.934
tors. eta vs tors. theta energy: -12.475
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 327
Temperature: 1.300000
Total energy: -113.639136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.639136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.639136 (E_RNA)
where:
Base-Base interactions energy: -50.972
where: short stacking energy: -43.036
Base-Backbone interact. energy: -0.439
local terms energy: -62.228112
where:
bonds (distance) C4'-P energy: -11.803
bonds (distance) P-C4' energy: -19.398
flat angles C4'-P-C4' energy: -14.867
flat angles P-C4'-P energy: -14.760
tors. eta vs tors. theta energy: -1.399
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 327
Temperature: 1.350000
Total energy: -104.706058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.706058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.706058 (E_RNA)
where:
Base-Base interactions energy: -42.569
where: short stacking energy: -36.023
Base-Backbone interact. energy: -0.351
local terms energy: -61.786520
where:
bonds (distance) C4'-P energy: -15.610
bonds (distance) P-C4' energy: -18.915
flat angles C4'-P-C4' energy: -17.203
flat angles P-C4'-P energy: -6.183
tors. eta vs tors. theta energy: -3.876
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 328
Temperature: 0.900000
Total energy: -353.179034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.179034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.179034 (E_RNA)
where:
Base-Base interactions energy: -249.854
where: short stacking energy: -97.106
Base-Backbone interact. energy: -0.003
local terms energy: -103.321434
where:
bonds (distance) C4'-P energy: -21.074
bonds (distance) P-C4' energy: -21.068
flat angles C4'-P-C4' energy: -21.600
flat angles P-C4'-P energy: -14.283
tors. eta vs tors. theta energy: -25.296
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 328
Temperature: 0.950000
Total energy: -328.437249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.437249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.437249 (E_RNA)
where:
Base-Base interactions energy: -227.382
where: short stacking energy: -94.245
Base-Backbone interact. energy: -1.043
local terms energy: -100.011998
where:
bonds (distance) C4'-P energy: -20.092
bonds (distance) P-C4' energy: -21.075
flat angles C4'-P-C4' energy: -19.143
flat angles P-C4'-P energy: -14.675
tors. eta vs tors. theta energy: -25.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 328
Temperature: 1.000000
Total energy: -293.639856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.639856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.639856 (E_RNA)
where:
Base-Base interactions energy: -201.352
where: short stacking energy: -82.311
Base-Backbone interact. energy: -0.356
local terms energy: -91.931258
where:
bonds (distance) C4'-P energy: -19.519
bonds (distance) P-C4' energy: -16.974
flat angles C4'-P-C4' energy: -18.934
flat angles P-C4'-P energy: -15.181
tors. eta vs tors. theta energy: -21.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 328
Temperature: 1.050000
Total energy: -328.725512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.725512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.725512 (E_RNA)
where:
Base-Base interactions energy: -239.938
where: short stacking energy: -97.164
Base-Backbone interact. energy: -0.535
local terms energy: -88.252103
where:
bonds (distance) C4'-P energy: -18.683
bonds (distance) P-C4' energy: -12.008
flat angles C4'-P-C4' energy: -20.366
flat angles P-C4'-P energy: -11.894
tors. eta vs tors. theta energy: -25.301
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 328
Temperature: 1.100000
Total energy: -239.163081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.163081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.163081 (E_RNA)
where:
Base-Base interactions energy: -153.645
where: short stacking energy: -71.248
Base-Backbone interact. energy: -0.942
local terms energy: -84.575787
where:
bonds (distance) C4'-P energy: -9.648
bonds (distance) P-C4' energy: -20.704
flat angles C4'-P-C4' energy: -17.071
flat angles P-C4'-P energy: -19.918
tors. eta vs tors. theta energy: -17.236
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 328
Temperature: 1.150000
Total energy: -260.961703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.961703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.961703 (E_RNA)
where:
Base-Base interactions energy: -180.322
where: short stacking energy: -76.579
Base-Backbone interact. energy: -0.297
local terms energy: -80.342629
where:
bonds (distance) C4'-P energy: -19.370
bonds (distance) P-C4' energy: -12.114
flat angles C4'-P-C4' energy: -19.462
flat angles P-C4'-P energy: -11.713
tors. eta vs tors. theta energy: -17.683
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 328
Temperature: 1.200000
Total energy: -239.226628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.226628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.226628 (E_RNA)
where:
Base-Base interactions energy: -160.657
where: short stacking energy: -68.677
Base-Backbone interact. energy: -0.702
local terms energy: -77.867678
where:
bonds (distance) C4'-P energy: -11.697
bonds (distance) P-C4' energy: -18.077
flat angles C4'-P-C4' energy: -20.628
flat angles P-C4'-P energy: -13.855
tors. eta vs tors. theta energy: -13.611
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 328
Temperature: 1.250000
Total energy: -211.122241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.122241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.122241 (E_RNA)
where:
Base-Base interactions energy: -138.963
where: short stacking energy: -79.543
Base-Backbone interact. energy: -0.110
local terms energy: -72.049359
where:
bonds (distance) C4'-P energy: -18.991
bonds (distance) P-C4' energy: -14.073
flat angles C4'-P-C4' energy: -16.423
flat angles P-C4'-P energy: -6.269
tors. eta vs tors. theta energy: -16.292
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 328
Temperature: 1.300000
Total energy: -106.934824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.934824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.934824 (E_RNA)
where:
Base-Base interactions energy: -46.160
where: short stacking energy: -43.586
Base-Backbone interact. energy: -0.264
local terms energy: -60.511650
where:
bonds (distance) C4'-P energy: -17.811
bonds (distance) P-C4' energy: -14.068
flat angles C4'-P-C4' energy: -16.744
flat angles P-C4'-P energy: -8.292
tors. eta vs tors. theta energy: -3.597
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 328
Temperature: 1.350000
Total energy: -108.812232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.812232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.812232 (E_RNA)
where:
Base-Base interactions energy: -50.454
where: short stacking energy: -46.743
Base-Backbone interact. energy: -1.169
local terms energy: -57.189012
where:
bonds (distance) C4'-P energy: -14.172
bonds (distance) P-C4' energy: -15.045
flat angles C4'-P-C4' energy: -6.726
flat angles P-C4'-P energy: -8.851
tors. eta vs tors. theta energy: -12.395
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 329
Temperature: 0.900000
Total energy: -352.807158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.807158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.807158 (E_RNA)
where:
Base-Base interactions energy: -251.148
where: short stacking energy: -103.800
Base-Backbone interact. energy: -0.398
local terms energy: -101.260561
where:
bonds (distance) C4'-P energy: -20.929
bonds (distance) P-C4' energy: -19.981
flat angles C4'-P-C4' energy: -20.407
flat angles P-C4'-P energy: -14.289
tors. eta vs tors. theta energy: -25.655
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 329
Temperature: 0.950000
Total energy: -318.986177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.986177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.986177 (E_RNA)
where:
Base-Base interactions energy: -223.692
where: short stacking energy: -94.403
Base-Backbone interact. energy: -0.517
local terms energy: -94.776854
where:
bonds (distance) C4'-P energy: -18.238
bonds (distance) P-C4' energy: -19.320
flat angles C4'-P-C4' energy: -20.533
flat angles P-C4'-P energy: -10.610
tors. eta vs tors. theta energy: -26.075
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 329
Temperature: 1.000000
Total energy: -323.145243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.145243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.145243 (E_RNA)
where:
Base-Base interactions energy: -221.198
where: short stacking energy: -93.517
Base-Backbone interact. energy: -0.542
local terms energy: -101.405148
where:
bonds (distance) C4'-P energy: -20.340
bonds (distance) P-C4' energy: -20.268
flat angles C4'-P-C4' energy: -20.454
flat angles P-C4'-P energy: -18.019
tors. eta vs tors. theta energy: -22.326
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 329
Temperature: 1.050000
Total energy: -316.288463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.288463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.288463 (E_RNA)
where:
Base-Base interactions energy: -227.063
where: short stacking energy: -83.460
Base-Backbone interact. energy: -0.699
local terms energy: -88.526382
where:
bonds (distance) C4'-P energy: -17.158
bonds (distance) P-C4' energy: -19.039
flat angles C4'-P-C4' energy: -22.128
flat angles P-C4'-P energy: -11.222
tors. eta vs tors. theta energy: -18.980
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 329
Temperature: 1.100000
Total energy: -244.699406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.699406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.699406 (E_RNA)
where:
Base-Base interactions energy: -166.427
where: short stacking energy: -68.717
Base-Backbone interact. energy: -0.266
local terms energy: -78.006027
where:
bonds (distance) C4'-P energy: -19.149
bonds (distance) P-C4' energy: -17.831
flat angles C4'-P-C4' energy: -20.675
flat angles P-C4'-P energy: -2.627
tors. eta vs tors. theta energy: -17.723
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 329
Temperature: 1.150000
Total energy: -243.600486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.600486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.600486 (E_RNA)
where:
Base-Base interactions energy: -165.286
where: short stacking energy: -76.449
Base-Backbone interact. energy: 0.590
local terms energy: -78.904146
where:
bonds (distance) C4'-P energy: -15.938
bonds (distance) P-C4' energy: -18.304
flat angles C4'-P-C4' energy: -14.653
flat angles P-C4'-P energy: -11.312
tors. eta vs tors. theta energy: -18.697
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 329
Temperature: 1.200000
Total energy: -240.581833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.581833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.581833 (E_RNA)
where:
Base-Base interactions energy: -155.115
where: short stacking energy: -68.732
Base-Backbone interact. energy: -0.953
local terms energy: -84.514174
where:
bonds (distance) C4'-P energy: -19.339
bonds (distance) P-C4' energy: -17.105
flat angles C4'-P-C4' energy: -18.608
flat angles P-C4'-P energy: -15.138
tors. eta vs tors. theta energy: -14.325
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 329
Temperature: 1.250000
Total energy: -199.114286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.114286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.114286 (E_RNA)
where:
Base-Base interactions energy: -134.381
where: short stacking energy: -54.930
Base-Backbone interact. energy: 1.762
local terms energy: -66.495739
where:
bonds (distance) C4'-P energy: -9.572
bonds (distance) P-C4' energy: -16.434
flat angles C4'-P-C4' energy: -17.261
flat angles P-C4'-P energy: -15.148
tors. eta vs tors. theta energy: -8.080
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 329
Temperature: 1.300000
Total energy: -112.128957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.128957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.128957 (E_RNA)
where:
Base-Base interactions energy: -59.316
where: short stacking energy: -19.742
Base-Backbone interact. energy: -0.158
local terms energy: -52.655087
where:
bonds (distance) C4'-P energy: -13.436
bonds (distance) P-C4' energy: -20.676
flat angles C4'-P-C4' energy: -9.778
flat angles P-C4'-P energy: -14.716
tors. eta vs tors. theta energy: 5.951
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 329
Temperature: 1.350000
Total energy: -107.223807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.223807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.223807 (E_RNA)
where:
Base-Base interactions energy: -56.636
where: short stacking energy: -46.600
Base-Backbone interact. energy: -0.055
local terms energy: -50.533472
where:
bonds (distance) C4'-P energy: -14.335
bonds (distance) P-C4' energy: -16.458
flat angles C4'-P-C4' energy: -6.406
flat angles P-C4'-P energy: -9.737
tors. eta vs tors. theta energy: -3.598
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 330
Temperature: 0.900000
Total energy: -316.407712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.407712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.407712 (E_RNA)
where:
Base-Base interactions energy: -217.313
where: short stacking energy: -97.218
Base-Backbone interact. energy: -0.281
local terms energy: -98.813970
where:
bonds (distance) C4'-P energy: -17.100
bonds (distance) P-C4' energy: -19.486
flat angles C4'-P-C4' energy: -21.019
flat angles P-C4'-P energy: -11.728
tors. eta vs tors. theta energy: -29.481
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 330
Temperature: 0.950000
Total energy: -353.388707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.388707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.388707 (E_RNA)
where:
Base-Base interactions energy: -245.235
where: short stacking energy: -96.843
Base-Backbone interact. energy: -1.181
local terms energy: -106.973045
where:
bonds (distance) C4'-P energy: -19.210
bonds (distance) P-C4' energy: -22.423
flat angles C4'-P-C4' energy: -20.873
flat angles P-C4'-P energy: -17.833
tors. eta vs tors. theta energy: -26.634
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 330
Temperature: 1.000000
Total energy: -324.942467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.942467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.942467 (E_RNA)
where:
Base-Base interactions energy: -230.319
where: short stacking energy: -96.982
Base-Backbone interact. energy: -1.329
local terms energy: -93.294228
where:
bonds (distance) C4'-P energy: -20.572
bonds (distance) P-C4' energy: -22.219
flat angles C4'-P-C4' energy: -19.465
flat angles P-C4'-P energy: -6.394
tors. eta vs tors. theta energy: -24.645
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 330
Temperature: 1.050000
Total energy: -322.116173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.116173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.116173 (E_RNA)
where:
Base-Base interactions energy: -231.297
where: short stacking energy: -97.963
Base-Backbone interact. energy: -0.306
local terms energy: -90.513717
where:
bonds (distance) C4'-P energy: -17.914
bonds (distance) P-C4' energy: -16.934
flat angles C4'-P-C4' energy: -20.819
flat angles P-C4'-P energy: -11.985
tors. eta vs tors. theta energy: -22.860
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 330
Temperature: 1.100000
Total energy: -261.279196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.279196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.279196 (E_RNA)
where:
Base-Base interactions energy: -169.945
where: short stacking energy: -77.872
Base-Backbone interact. energy: -1.136
local terms energy: -90.197500
where:
bonds (distance) C4'-P energy: -20.445
bonds (distance) P-C4' energy: -20.408
flat angles C4'-P-C4' energy: -17.941
flat angles P-C4'-P energy: -12.618
tors. eta vs tors. theta energy: -18.786
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 330
Temperature: 1.150000
Total energy: -223.001815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.001815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.001815 (E_RNA)
where:
Base-Base interactions energy: -145.736
where: short stacking energy: -63.756
Base-Backbone interact. energy: -0.240
local terms energy: -77.025557
where:
bonds (distance) C4'-P energy: -13.414
bonds (distance) P-C4' energy: -23.275
flat angles C4'-P-C4' energy: -21.274
flat angles P-C4'-P energy: -5.366
tors. eta vs tors. theta energy: -13.697
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 330
Temperature: 1.200000
Total energy: -234.410170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.410170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.410170 (E_RNA)
where:
Base-Base interactions energy: -160.591
where: short stacking energy: -69.180
Base-Backbone interact. energy: -0.045
local terms energy: -73.774631
where:
bonds (distance) C4'-P energy: -13.611
bonds (distance) P-C4' energy: -20.149
flat angles C4'-P-C4' energy: -17.326
flat angles P-C4'-P energy: -12.643
tors. eta vs tors. theta energy: -10.046
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 330
Temperature: 1.250000
Total energy: -211.084308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.084308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.084308 (E_RNA)
where:
Base-Base interactions energy: -124.309
where: short stacking energy: -60.933
Base-Backbone interact. energy: -2.119
local terms energy: -84.656498
where:
bonds (distance) C4'-P energy: -20.498
bonds (distance) P-C4' energy: -20.613
flat angles C4'-P-C4' energy: -16.171
flat angles P-C4'-P energy: -10.598
tors. eta vs tors. theta energy: -16.777
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 330
Temperature: 1.300000
Total energy: -174.962824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.962824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.962824 (E_RNA)
where:
Base-Base interactions energy: -113.094
where: short stacking energy: -52.925
Base-Backbone interact. energy: -0.517
local terms energy: -61.351031
where:
bonds (distance) C4'-P energy: -15.108
bonds (distance) P-C4' energy: -11.925
flat angles C4'-P-C4' energy: -16.910
flat angles P-C4'-P energy: -9.731
tors. eta vs tors. theta energy: -7.676
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 330
Temperature: 1.350000
Total energy: -108.426866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.426866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.426866 (E_RNA)
where:
Base-Base interactions energy: -39.786
where: short stacking energy: -37.528
Base-Backbone interact. energy: 0.400
local terms energy: -69.040570
where:
bonds (distance) C4'-P energy: -17.289
bonds (distance) P-C4' energy: -20.400
flat angles C4'-P-C4' energy: -12.833
flat angles P-C4'-P energy: -13.601
tors. eta vs tors. theta energy: -4.918
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 331
Temperature: 0.900000
Total energy: -316.718855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.718855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.718855 (E_RNA)
where:
Base-Base interactions energy: -214.124
where: short stacking energy: -90.035
Base-Backbone interact. energy: 0.671
local terms energy: -103.265449
where:
bonds (distance) C4'-P energy: -20.987
bonds (distance) P-C4' energy: -23.105
flat angles C4'-P-C4' energy: -22.079
flat angles P-C4'-P energy: -6.373
tors. eta vs tors. theta energy: -30.722
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 331
Temperature: 0.950000
Total energy: -346.257785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.257785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.257785 (E_RNA)
where:
Base-Base interactions energy: -250.959
where: short stacking energy: -102.044
Base-Backbone interact. energy: 0.315
local terms energy: -95.613471
where:
bonds (distance) C4'-P energy: -17.246
bonds (distance) P-C4' energy: -19.573
flat angles C4'-P-C4' energy: -20.965
flat angles P-C4'-P energy: -11.369
tors. eta vs tors. theta energy: -26.461
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 331
Temperature: 1.000000
Total energy: -315.852383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.852383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.852383 (E_RNA)
where:
Base-Base interactions energy: -235.123
where: short stacking energy: -94.523
Base-Backbone interact. energy: 0.673
local terms energy: -81.403198
where:
bonds (distance) C4'-P energy: -8.895
bonds (distance) P-C4' energy: -13.136
flat angles C4'-P-C4' energy: -17.386
flat angles P-C4'-P energy: -17.089
tors. eta vs tors. theta energy: -24.897
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 331
Temperature: 1.050000
Total energy: -315.184656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.184656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.184656 (E_RNA)
where:
Base-Base interactions energy: -218.077
where: short stacking energy: -90.225
Base-Backbone interact. energy: -0.580
local terms energy: -96.527704
where:
bonds (distance) C4'-P energy: -19.218
bonds (distance) P-C4' energy: -19.398
flat angles C4'-P-C4' energy: -23.246
flat angles P-C4'-P energy: -16.649
tors. eta vs tors. theta energy: -18.017
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 331
Temperature: 1.100000
Total energy: -253.283869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.283869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.283869 (E_RNA)
where:
Base-Base interactions energy: -162.844
where: short stacking energy: -83.841
Base-Backbone interact. energy: -0.032
local terms energy: -90.407696
where:
bonds (distance) C4'-P energy: -15.712
bonds (distance) P-C4' energy: -21.386
flat angles C4'-P-C4' energy: -19.595
flat angles P-C4'-P energy: -13.152
tors. eta vs tors. theta energy: -20.563
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 331
Temperature: 1.150000
Total energy: -240.681968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.681968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.681968 (E_RNA)
where:
Base-Base interactions energy: -155.689
where: short stacking energy: -76.313
Base-Backbone interact. energy: -0.116
local terms energy: -84.876602
where:
bonds (distance) C4'-P energy: -18.370
bonds (distance) P-C4' energy: -13.153
flat angles C4'-P-C4' energy: -17.055
flat angles P-C4'-P energy: -17.160
tors. eta vs tors. theta energy: -19.139
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 331
Temperature: 1.200000
Total energy: -220.405612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.405612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.405612 (E_RNA)
where:
Base-Base interactions energy: -149.966
where: short stacking energy: -64.963
Base-Backbone interact. energy: 0.489
local terms energy: -70.928549
where:
bonds (distance) C4'-P energy: -18.392
bonds (distance) P-C4' energy: -20.605
flat angles C4'-P-C4' energy: -11.412
flat angles P-C4'-P energy: -8.693
tors. eta vs tors. theta energy: -11.827
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 331
Temperature: 1.250000
Total energy: -200.924675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.924675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.924675 (E_RNA)
where:
Base-Base interactions energy: -126.064
where: short stacking energy: -64.300
Base-Backbone interact. energy: -0.029
local terms energy: -74.831389
where:
bonds (distance) C4'-P energy: -17.402
bonds (distance) P-C4' energy: -18.564
flat angles C4'-P-C4' energy: -15.770
flat angles P-C4'-P energy: -10.608
tors. eta vs tors. theta energy: -12.487
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 331
Temperature: 1.300000
Total energy: -186.638826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.638826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.638826 (E_RNA)
where:
Base-Base interactions energy: -111.933
where: short stacking energy: -58.661
Base-Backbone interact. energy: -0.530
local terms energy: -74.176137
where:
bonds (distance) C4'-P energy: -21.177
bonds (distance) P-C4' energy: -18.377
flat angles C4'-P-C4' energy: -13.571
flat angles P-C4'-P energy: -12.862
tors. eta vs tors. theta energy: -8.189
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 331
Temperature: 1.350000
Total energy: -127.059436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.059436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.059436 (E_RNA)
where:
Base-Base interactions energy: -76.168
where: short stacking energy: -36.980
Base-Backbone interact. energy: 0.623
local terms energy: -51.514230
where:
bonds (distance) C4'-P energy: -16.158
bonds (distance) P-C4' energy: -17.624
flat angles C4'-P-C4' energy: -9.135
flat angles P-C4'-P energy: -11.595
tors. eta vs tors. theta energy: 2.998
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 332
Temperature: 0.900000
Total energy: -357.172069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.172069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.172069 (E_RNA)
where:
Base-Base interactions energy: -260.019
where: short stacking energy: -98.883
Base-Backbone interact. energy: 0.618
local terms energy: -97.771610
where:
bonds (distance) C4'-P energy: -18.291
bonds (distance) P-C4' energy: -19.772
flat angles C4'-P-C4' energy: -23.678
flat angles P-C4'-P energy: -13.831
tors. eta vs tors. theta energy: -22.199
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 332
Temperature: 0.950000
Total energy: -317.811842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.811842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.811842 (E_RNA)
where:
Base-Base interactions energy: -220.256
where: short stacking energy: -96.643
Base-Backbone interact. energy: -0.315
local terms energy: -97.240981
where:
bonds (distance) C4'-P energy: -20.510
bonds (distance) P-C4' energy: -19.277
flat angles C4'-P-C4' energy: -19.475
flat angles P-C4'-P energy: -11.460
tors. eta vs tors. theta energy: -26.519
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 332
Temperature: 1.000000
Total energy: -314.617690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.617690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.617690 (E_RNA)
where:
Base-Base interactions energy: -228.597
where: short stacking energy: -91.523
Base-Backbone interact. energy: 0.202
local terms energy: -86.222031
where:
bonds (distance) C4'-P energy: -19.600
bonds (distance) P-C4' energy: -18.113
flat angles C4'-P-C4' energy: -18.115
flat angles P-C4'-P energy: -10.655
tors. eta vs tors. theta energy: -19.739
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 332
Temperature: 1.050000
Total energy: -325.599261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.599261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.599261 (E_RNA)
where:
Base-Base interactions energy: -233.318
where: short stacking energy: -93.679
Base-Backbone interact. energy: -0.543
local terms energy: -91.737856
where:
bonds (distance) C4'-P energy: -16.718
bonds (distance) P-C4' energy: -18.149
flat angles C4'-P-C4' energy: -18.987
flat angles P-C4'-P energy: -11.728
tors. eta vs tors. theta energy: -26.156
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 332
Temperature: 1.100000
Total energy: -259.177232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.177232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.177232 (E_RNA)
where:
Base-Base interactions energy: -161.135
where: short stacking energy: -70.731
Base-Backbone interact. energy: -1.167
local terms energy: -96.875167
where:
bonds (distance) C4'-P energy: -18.598
bonds (distance) P-C4' energy: -21.225
flat angles C4'-P-C4' energy: -20.164
flat angles P-C4'-P energy: -18.083
tors. eta vs tors. theta energy: -18.806
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 332
Temperature: 1.150000
Total energy: -244.504291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.504291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.504291 (E_RNA)
where:
Base-Base interactions energy: -165.133
where: short stacking energy: -70.603
Base-Backbone interact. energy: 0.632
local terms energy: -80.003253
where:
bonds (distance) C4'-P energy: -17.165
bonds (distance) P-C4' energy: -21.669
flat angles C4'-P-C4' energy: -17.634
flat angles P-C4'-P energy: -11.244
tors. eta vs tors. theta energy: -12.291
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 332
Temperature: 1.200000
Total energy: -198.393337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.393337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.393337 (E_RNA)
where:
Base-Base interactions energy: -115.510
where: short stacking energy: -52.574
Base-Backbone interact. energy: -0.401
local terms energy: -82.481890
where:
bonds (distance) C4'-P energy: -22.394
bonds (distance) P-C4' energy: -17.343
flat angles C4'-P-C4' energy: -16.198
flat angles P-C4'-P energy: -16.859
tors. eta vs tors. theta energy: -9.688
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 332
Temperature: 1.250000
Total energy: -226.607710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.607710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.607710 (E_RNA)
where:
Base-Base interactions energy: -146.931
where: short stacking energy: -75.382
Base-Backbone interact. energy: 0.334
local terms energy: -80.010616
where:
bonds (distance) C4'-P energy: -12.539
bonds (distance) P-C4' energy: -19.143
flat angles C4'-P-C4' energy: -17.808
flat angles P-C4'-P energy: -15.242
tors. eta vs tors. theta energy: -15.279
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 332
Temperature: 1.300000
Total energy: -195.139015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.139015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.139015 (E_RNA)
where:
Base-Base interactions energy: -124.183
where: short stacking energy: -47.189
Base-Backbone interact. energy: -0.223
local terms energy: -70.732803
where:
bonds (distance) C4'-P energy: -12.992
bonds (distance) P-C4' energy: -19.249
flat angles C4'-P-C4' energy: -14.834
flat angles P-C4'-P energy: -14.607
tors. eta vs tors. theta energy: -9.050
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 332
Temperature: 1.350000
Total energy: -147.689965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.689965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.689965 (E_RNA)
where:
Base-Base interactions energy: -83.687
where: short stacking energy: -44.399
Base-Backbone interact. energy: 0.274
local terms energy: -64.276521
where:
bonds (distance) C4'-P energy: -19.485
bonds (distance) P-C4' energy: -19.689
flat angles C4'-P-C4' energy: -7.956
flat angles P-C4'-P energy: -7.035
tors. eta vs tors. theta energy: -10.111
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 333
Temperature: 0.900000
Total energy: -358.714038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.714038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.714038 (E_RNA)
where:
Base-Base interactions energy: -254.808
where: short stacking energy: -105.301
Base-Backbone interact. energy: -0.693
local terms energy: -103.212472
where:
bonds (distance) C4'-P energy: -19.016
bonds (distance) P-C4' energy: -19.474
flat angles C4'-P-C4' energy: -19.074
flat angles P-C4'-P energy: -17.081
tors. eta vs tors. theta energy: -28.568
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 333
Temperature: 0.950000
Total energy: -320.162161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.162161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.162161 (E_RNA)
where:
Base-Base interactions energy: -223.558
where: short stacking energy: -90.468
Base-Backbone interact. energy: -1.323
local terms energy: -95.280710
where:
bonds (distance) C4'-P energy: -20.022
bonds (distance) P-C4' energy: -17.006
flat angles C4'-P-C4' energy: -21.538
flat angles P-C4'-P energy: -15.098
tors. eta vs tors. theta energy: -21.616
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 333
Temperature: 1.000000
Total energy: -300.969590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.969590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.969590 (E_RNA)
where:
Base-Base interactions energy: -196.875
where: short stacking energy: -87.156
Base-Backbone interact. energy: -1.079
local terms energy: -103.015969
where:
bonds (distance) C4'-P energy: -22.833
bonds (distance) P-C4' energy: -21.966
flat angles C4'-P-C4' energy: -20.283
flat angles P-C4'-P energy: -11.590
tors. eta vs tors. theta energy: -26.345
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 333
Temperature: 1.050000
Total energy: -316.585895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.585895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.585895 (E_RNA)
where:
Base-Base interactions energy: -238.895
where: short stacking energy: -91.132
Base-Backbone interact. energy: -0.486
local terms energy: -77.205397
where:
bonds (distance) C4'-P energy: -11.000
bonds (distance) P-C4' energy: -23.744
flat angles C4'-P-C4' energy: -9.630
flat angles P-C4'-P energy: -9.204
tors. eta vs tors. theta energy: -23.628
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 333
Temperature: 1.100000
Total energy: -261.132757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.132757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.132757 (E_RNA)
where:
Base-Base interactions energy: -178.940
where: short stacking energy: -78.741
Base-Backbone interact. energy: -0.096
local terms energy: -82.097219
where:
bonds (distance) C4'-P energy: -13.411
bonds (distance) P-C4' energy: -19.112
flat angles C4'-P-C4' energy: -19.253
flat angles P-C4'-P energy: -12.795
tors. eta vs tors. theta energy: -17.526
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 333
Temperature: 1.150000
Total energy: -255.851224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.851224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.851224 (E_RNA)
where:
Base-Base interactions energy: -172.224
where: short stacking energy: -63.842
Base-Backbone interact. energy: -0.093
local terms energy: -83.534558
where:
bonds (distance) C4'-P energy: -19.239
bonds (distance) P-C4' energy: -18.823
flat angles C4'-P-C4' energy: -19.339
flat angles P-C4'-P energy: -12.849
tors. eta vs tors. theta energy: -13.286
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 333
Temperature: 1.200000
Total energy: -186.481323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.481323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.481323 (E_RNA)
where:
Base-Base interactions energy: -113.499
where: short stacking energy: -64.016
Base-Backbone interact. energy: -0.223
local terms energy: -72.759142
where:
bonds (distance) C4'-P energy: -17.682
bonds (distance) P-C4' energy: -13.014
flat angles C4'-P-C4' energy: -19.520
flat angles P-C4'-P energy: -9.918
tors. eta vs tors. theta energy: -12.626
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 333
Temperature: 1.250000
Total energy: -217.074300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.074300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.074300 (E_RNA)
where:
Base-Base interactions energy: -141.915
where: short stacking energy: -61.413
Base-Backbone interact. energy: -0.174
local terms energy: -74.985384
where:
bonds (distance) C4'-P energy: -20.866
bonds (distance) P-C4' energy: -18.689
flat angles C4'-P-C4' energy: -19.450
flat angles P-C4'-P energy: -5.165
tors. eta vs tors. theta energy: -10.816
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 333
Temperature: 1.300000
Total energy: -187.545730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.545730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.545730 (E_RNA)
where:
Base-Base interactions energy: -105.605
where: short stacking energy: -52.534
Base-Backbone interact. energy: -0.444
local terms energy: -81.496424
where:
bonds (distance) C4'-P energy: -21.923
bonds (distance) P-C4' energy: -19.633
flat angles C4'-P-C4' energy: -19.944
flat angles P-C4'-P energy: -10.340
tors. eta vs tors. theta energy: -9.657
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 333
Temperature: 1.350000
Total energy: -140.032726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.032726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.032726 (E_RNA)
where:
Base-Base interactions energy: -78.006
where: short stacking energy: -45.255
Base-Backbone interact. energy: -0.085
local terms energy: -61.940872
where:
bonds (distance) C4'-P energy: -16.401
bonds (distance) P-C4' energy: -19.001
flat angles C4'-P-C4' energy: -17.333
flat angles P-C4'-P energy: 0.323
tors. eta vs tors. theta energy: -9.529
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 334
Temperature: 0.900000
Total energy: -352.368387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.368387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.368387 (E_RNA)
where:
Base-Base interactions energy: -248.455
where: short stacking energy: -97.765
Base-Backbone interact. energy: 0.483
local terms energy: -104.395761
where:
bonds (distance) C4'-P energy: -22.108
bonds (distance) P-C4' energy: -20.291
flat angles C4'-P-C4' energy: -20.718
flat angles P-C4'-P energy: -15.979
tors. eta vs tors. theta energy: -25.300
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 334
Temperature: 0.950000
Total energy: -336.678521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.678521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.678521 (E_RNA)
where:
Base-Base interactions energy: -238.282
where: short stacking energy: -89.843
Base-Backbone interact. energy: -0.810
local terms energy: -97.585758
where:
bonds (distance) C4'-P energy: -14.921
bonds (distance) P-C4' energy: -23.286
flat angles C4'-P-C4' energy: -18.572
flat angles P-C4'-P energy: -16.981
tors. eta vs tors. theta energy: -23.826
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 334
Temperature: 1.000000
Total energy: -322.902010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.902010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.902010 (E_RNA)
where:
Base-Base interactions energy: -224.837
where: short stacking energy: -93.207
Base-Backbone interact. energy: 0.807
local terms energy: -98.872157
where:
bonds (distance) C4'-P energy: -19.339
bonds (distance) P-C4' energy: -17.225
flat angles C4'-P-C4' energy: -19.004
flat angles P-C4'-P energy: -14.264
tors. eta vs tors. theta energy: -29.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 334
Temperature: 1.050000
Total energy: -299.702550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.702550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.702550 (E_RNA)
where:
Base-Base interactions energy: -194.957
where: short stacking energy: -85.590
Base-Backbone interact. energy: 0.175
local terms energy: -104.919793
where:
bonds (distance) C4'-P energy: -22.775
bonds (distance) P-C4' energy: -21.557
flat angles C4'-P-C4' energy: -21.303
flat angles P-C4'-P energy: -13.744
tors. eta vs tors. theta energy: -25.541
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 334
Temperature: 1.100000
Total energy: -252.708017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.708017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.708017 (E_RNA)
where:
Base-Base interactions energy: -169.166
where: short stacking energy: -75.329
Base-Backbone interact. energy: -1.032
local terms energy: -82.510026
where:
bonds (distance) C4'-P energy: -16.781
bonds (distance) P-C4' energy: -19.759
flat angles C4'-P-C4' energy: -20.061
flat angles P-C4'-P energy: -12.265
tors. eta vs tors. theta energy: -13.644
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 334
Temperature: 1.150000
Total energy: -243.423299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.423299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.423299 (E_RNA)
where:
Base-Base interactions energy: -158.717
where: short stacking energy: -77.735
Base-Backbone interact. energy: -0.047
local terms energy: -84.658909
where:
bonds (distance) C4'-P energy: -21.468
bonds (distance) P-C4' energy: -14.598
flat angles C4'-P-C4' energy: -18.410
flat angles P-C4'-P energy: -12.650
tors. eta vs tors. theta energy: -17.533
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 334
Temperature: 1.200000
Total energy: -225.405728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.405728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.405728 (E_RNA)
where:
Base-Base interactions energy: -148.528
where: short stacking energy: -72.809
Base-Backbone interact. energy: -0.177
local terms energy: -76.700824
where:
bonds (distance) C4'-P energy: -9.180
bonds (distance) P-C4' energy: -19.716
flat angles C4'-P-C4' energy: -16.285
flat angles P-C4'-P energy: -16.518
tors. eta vs tors. theta energy: -15.002
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 334
Temperature: 1.250000
Total energy: -156.704019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.704019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.704019 (E_RNA)
where:
Base-Base interactions energy: -88.840
where: short stacking energy: -46.454
Base-Backbone interact. energy: 0.138
local terms energy: -68.002674
where:
bonds (distance) C4'-P energy: -14.411
bonds (distance) P-C4' energy: -20.194
flat angles C4'-P-C4' energy: -14.636
flat angles P-C4'-P energy: -9.911
tors. eta vs tors. theta energy: -8.850
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 334
Temperature: 1.300000
Total energy: -182.905589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.905589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.905589 (E_RNA)
where:
Base-Base interactions energy: -105.237
where: short stacking energy: -56.215
Base-Backbone interact. energy: -0.349
local terms energy: -77.319594
where:
bonds (distance) C4'-P energy: -18.345
bonds (distance) P-C4' energy: -15.017
flat angles C4'-P-C4' energy: -16.991
flat angles P-C4'-P energy: -13.898
tors. eta vs tors. theta energy: -13.069
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 334
Temperature: 1.350000
Total energy: -131.528179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.528179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.528179 (E_RNA)
where:
Base-Base interactions energy: -72.359
where: short stacking energy: -40.399
Base-Backbone interact. energy: 4.014
local terms energy: -63.183588
where:
bonds (distance) C4'-P energy: -15.452
bonds (distance) P-C4' energy: -20.565
flat angles C4'-P-C4' energy: -13.615
flat angles P-C4'-P energy: -8.025
tors. eta vs tors. theta energy: -5.527
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 335
Temperature: 0.900000
Total energy: -344.570308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.570308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.570308 (E_RNA)
where:
Base-Base interactions energy: -244.288
where: short stacking energy: -87.897
Base-Backbone interact. energy: 1.751
local terms energy: -102.033822
where:
bonds (distance) C4'-P energy: -20.301
bonds (distance) P-C4' energy: -21.525
flat angles C4'-P-C4' energy: -20.192
flat angles P-C4'-P energy: -17.766
tors. eta vs tors. theta energy: -22.250
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 335
Temperature: 0.950000
Total energy: -336.054245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.054245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.054245 (E_RNA)
where:
Base-Base interactions energy: -241.277
where: short stacking energy: -98.520
Base-Backbone interact. energy: -0.797
local terms energy: -93.980761
where:
bonds (distance) C4'-P energy: -17.452
bonds (distance) P-C4' energy: -17.395
flat angles C4'-P-C4' energy: -20.739
flat angles P-C4'-P energy: -11.574
tors. eta vs tors. theta energy: -26.821
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 335
Temperature: 1.000000
Total energy: -330.846665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.846665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.846665 (E_RNA)
where:
Base-Base interactions energy: -234.286
where: short stacking energy: -91.703
Base-Backbone interact. energy: -0.308
local terms energy: -96.252527
where:
bonds (distance) C4'-P energy: -18.197
bonds (distance) P-C4' energy: -20.682
flat angles C4'-P-C4' energy: -17.562
flat angles P-C4'-P energy: -14.835
tors. eta vs tors. theta energy: -24.976
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 335
Temperature: 1.050000
Total energy: -261.441078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.441078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.441078 (E_RNA)
where:
Base-Base interactions energy: -183.427
where: short stacking energy: -86.138
Base-Backbone interact. energy: -0.277
local terms energy: -77.736389
where:
bonds (distance) C4'-P energy: -19.522
bonds (distance) P-C4' energy: -12.494
flat angles C4'-P-C4' energy: -18.348
flat angles P-C4'-P energy: -12.348
tors. eta vs tors. theta energy: -15.025
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 335
Temperature: 1.100000
Total energy: -303.074452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.074452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.074452 (E_RNA)
where:
Base-Base interactions energy: -198.225
where: short stacking energy: -93.400
Base-Backbone interact. energy: -0.972
local terms energy: -103.877650
where:
bonds (distance) C4'-P energy: -20.207
bonds (distance) P-C4' energy: -22.613
flat angles C4'-P-C4' energy: -18.859
flat angles P-C4'-P energy: -15.168
tors. eta vs tors. theta energy: -27.030
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 335
Temperature: 1.150000
Total energy: -252.771699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.771699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.771699 (E_RNA)
where:
Base-Base interactions energy: -162.073
where: short stacking energy: -82.891
Base-Backbone interact. energy: 1.389
local terms energy: -92.087250
where:
bonds (distance) C4'-P energy: -17.133
bonds (distance) P-C4' energy: -22.046
flat angles C4'-P-C4' energy: -19.156
flat angles P-C4'-P energy: -15.720
tors. eta vs tors. theta energy: -18.032
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 335
Temperature: 1.200000
Total energy: -219.676584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.676584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.676584 (E_RNA)
where:
Base-Base interactions energy: -140.331
where: short stacking energy: -63.883
Base-Backbone interact. energy: -0.655
local terms energy: -78.690905
where:
bonds (distance) C4'-P energy: -22.171
bonds (distance) P-C4' energy: -13.749
flat angles C4'-P-C4' energy: -19.613
flat angles P-C4'-P energy: -11.169
tors. eta vs tors. theta energy: -11.988
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 335
Temperature: 1.250000
Total energy: -169.159942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.159942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.159942 (E_RNA)
where:
Base-Base interactions energy: -96.154
where: short stacking energy: -55.119
Base-Backbone interact. energy: -0.682
local terms energy: -72.323832
where:
bonds (distance) C4'-P energy: -19.753
bonds (distance) P-C4' energy: -12.997
flat angles C4'-P-C4' energy: -15.279
flat angles P-C4'-P energy: -15.882
tors. eta vs tors. theta energy: -8.412
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 335
Temperature: 1.300000
Total energy: -139.424961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.424961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.424961 (E_RNA)
where:
Base-Base interactions energy: -69.906
where: short stacking energy: -20.930
Base-Backbone interact. energy: -0.262
local terms energy: -69.256566
where:
bonds (distance) C4'-P energy: -18.887
bonds (distance) P-C4' energy: -23.344
flat angles C4'-P-C4' energy: -17.552
flat angles P-C4'-P energy: -10.810
tors. eta vs tors. theta energy: 1.337
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 335
Temperature: 1.350000
Total energy: -117.453534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.453534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.453534 (E_RNA)
where:
Base-Base interactions energy: -47.340
where: short stacking energy: -42.508
Base-Backbone interact. energy: 0.635
local terms energy: -70.748488
where:
bonds (distance) C4'-P energy: -17.261
bonds (distance) P-C4' energy: -19.740
flat angles C4'-P-C4' energy: -15.260
flat angles P-C4'-P energy: -9.588
tors. eta vs tors. theta energy: -8.900
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 336
Temperature: 0.900000
Total energy: -350.148369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.148369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.148369 (E_RNA)
where:
Base-Base interactions energy: -252.384
where: short stacking energy: -97.522
Base-Backbone interact. energy: 0.111
local terms energy: -97.875888
where:
bonds (distance) C4'-P energy: -17.215
bonds (distance) P-C4' energy: -17.713
flat angles C4'-P-C4' energy: -21.712
flat angles P-C4'-P energy: -12.305
tors. eta vs tors. theta energy: -28.931
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 336
Temperature: 0.950000
Total energy: -326.619478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.619478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.619478 (E_RNA)
where:
Base-Base interactions energy: -223.279
where: short stacking energy: -96.197
Base-Backbone interact. energy: -0.843
local terms energy: -102.496753
where:
bonds (distance) C4'-P energy: -22.669
bonds (distance) P-C4' energy: -19.573
flat angles C4'-P-C4' energy: -18.444
flat angles P-C4'-P energy: -16.819
tors. eta vs tors. theta energy: -24.991
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 336
Temperature: 1.000000
Total energy: -325.160199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.160199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.160199 (E_RNA)
where:
Base-Base interactions energy: -230.817
where: short stacking energy: -94.070
Base-Backbone interact. energy: -0.947
local terms energy: -93.396711
where:
bonds (distance) C4'-P energy: -20.726
bonds (distance) P-C4' energy: -14.696
flat angles C4'-P-C4' energy: -22.241
flat angles P-C4'-P energy: -11.706
tors. eta vs tors. theta energy: -24.029
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 336
Temperature: 1.050000
Total energy: -278.786169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.786169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.786169 (E_RNA)
where:
Base-Base interactions energy: -192.450
where: short stacking energy: -76.976
Base-Backbone interact. energy: -0.562
local terms energy: -85.774361
where:
bonds (distance) C4'-P energy: -14.606
bonds (distance) P-C4' energy: -21.201
flat angles C4'-P-C4' energy: -18.500
flat angles P-C4'-P energy: -9.569
tors. eta vs tors. theta energy: -21.897
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 336
Temperature: 1.100000
Total energy: -284.251268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.251268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.251268 (E_RNA)
where:
Base-Base interactions energy: -202.589
where: short stacking energy: -94.744
Base-Backbone interact. energy: -0.210
local terms energy: -81.452839
where:
bonds (distance) C4'-P energy: -12.507
bonds (distance) P-C4' energy: -14.921
flat angles C4'-P-C4' energy: -18.271
flat angles P-C4'-P energy: -10.502
tors. eta vs tors. theta energy: -25.252
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 336
Temperature: 1.150000
Total energy: -246.072444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.072444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.072444 (E_RNA)
where:
Base-Base interactions energy: -171.142
where: short stacking energy: -79.055
Base-Backbone interact. energy: -0.255
local terms energy: -74.675608
where:
bonds (distance) C4'-P energy: -12.739
bonds (distance) P-C4' energy: -16.628
flat angles C4'-P-C4' energy: -15.729
flat angles P-C4'-P energy: -13.281
tors. eta vs tors. theta energy: -16.298
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 336
Temperature: 1.200000
Total energy: -149.250165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.250165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.250165 (E_RNA)
where:
Base-Base interactions energy: -81.576
where: short stacking energy: -48.964
Base-Backbone interact. energy: -0.601
local terms energy: -67.073201
where:
bonds (distance) C4'-P energy: -18.668
bonds (distance) P-C4' energy: -15.614
flat angles C4'-P-C4' energy: -14.823
flat angles P-C4'-P energy: -8.152
tors. eta vs tors. theta energy: -9.817
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 336
Temperature: 1.250000
Total energy: -175.949555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.949555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.949555 (E_RNA)
where:
Base-Base interactions energy: -98.496
where: short stacking energy: -53.091
Base-Backbone interact. energy: -0.233
local terms energy: -77.220789
where:
bonds (distance) C4'-P energy: -15.223
bonds (distance) P-C4' energy: -16.871
flat angles C4'-P-C4' energy: -20.279
flat angles P-C4'-P energy: -11.893
tors. eta vs tors. theta energy: -12.955
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 336
Temperature: 1.300000
Total energy: -144.836950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.836950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.836950 (E_RNA)
where:
Base-Base interactions energy: -84.471
where: short stacking energy: -46.953
Base-Backbone interact. energy: -1.836
local terms energy: -58.529913
where:
bonds (distance) C4'-P energy: -15.713
bonds (distance) P-C4' energy: -14.549
flat angles C4'-P-C4' energy: -15.124
flat angles P-C4'-P energy: -8.556
tors. eta vs tors. theta energy: -4.588
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 336
Temperature: 1.350000
Total energy: -106.873025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.873025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.873025 (E_RNA)
where:
Base-Base interactions energy: -49.542
where: short stacking energy: -42.446
Base-Backbone interact. energy: -0.847
local terms energy: -56.484490
where:
bonds (distance) C4'-P energy: -14.951
bonds (distance) P-C4' energy: -14.780
flat angles C4'-P-C4' energy: -10.915
flat angles P-C4'-P energy: -12.364
tors. eta vs tors. theta energy: -3.474
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 337
Temperature: 0.900000
Total energy: -347.569649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.569649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.569649 (E_RNA)
where:
Base-Base interactions energy: -254.693
where: short stacking energy: -102.506
Base-Backbone interact. energy: -0.450
local terms energy: -92.426628
where:
bonds (distance) C4'-P energy: -20.070
bonds (distance) P-C4' energy: -14.752
flat angles C4'-P-C4' energy: -17.130
flat angles P-C4'-P energy: -17.792
tors. eta vs tors. theta energy: -22.682
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 337
Temperature: 0.950000
Total energy: -334.028686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.028686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.028686 (E_RNA)
where:
Base-Base interactions energy: -237.084
where: short stacking energy: -93.702
Base-Backbone interact. energy: -0.585
local terms energy: -96.358876
where:
bonds (distance) C4'-P energy: -19.550
bonds (distance) P-C4' energy: -21.048
flat angles C4'-P-C4' energy: -21.473
flat angles P-C4'-P energy: -11.085
tors. eta vs tors. theta energy: -23.203
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 337
Temperature: 1.000000
Total energy: -323.107569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.107569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.107569 (E_RNA)
where:
Base-Base interactions energy: -229.551
where: short stacking energy: -99.102
Base-Backbone interact. energy: -0.840
local terms energy: -92.716579
where:
bonds (distance) C4'-P energy: -13.762
bonds (distance) P-C4' energy: -21.472
flat angles C4'-P-C4' energy: -16.897
flat angles P-C4'-P energy: -14.498
tors. eta vs tors. theta energy: -26.088
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 337
Temperature: 1.050000
Total energy: -284.537999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.537999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.537999 (E_RNA)
where:
Base-Base interactions energy: -195.383
where: short stacking energy: -84.167
Base-Backbone interact. energy: -0.111
local terms energy: -89.043654
where:
bonds (distance) C4'-P energy: -16.119
bonds (distance) P-C4' energy: -18.149
flat angles C4'-P-C4' energy: -22.852
flat angles P-C4'-P energy: -12.813
tors. eta vs tors. theta energy: -19.111
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 337
Temperature: 1.100000
Total energy: -280.079207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.079207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.079207 (E_RNA)
where:
Base-Base interactions energy: -194.866
where: short stacking energy: -85.562
Base-Backbone interact. energy: -0.667
local terms energy: -84.545881
where:
bonds (distance) C4'-P energy: -17.215
bonds (distance) P-C4' energy: -17.245
flat angles C4'-P-C4' energy: -15.678
flat angles P-C4'-P energy: -12.048
tors. eta vs tors. theta energy: -22.360
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 337
Temperature: 1.150000
Total energy: -225.983625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.983625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.983625 (E_RNA)
where:
Base-Base interactions energy: -142.994
where: short stacking energy: -70.002
Base-Backbone interact. energy: -0.064
local terms energy: -82.925693
where:
bonds (distance) C4'-P energy: -20.716
bonds (distance) P-C4' energy: -18.660
flat angles C4'-P-C4' energy: -14.728
flat angles P-C4'-P energy: -14.700
tors. eta vs tors. theta energy: -14.120
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 337
Temperature: 1.200000
Total energy: -164.924300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.924300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.924300 (E_RNA)
where:
Base-Base interactions energy: -95.812
where: short stacking energy: -47.984
Base-Backbone interact. energy: -0.364
local terms energy: -68.748394
where:
bonds (distance) C4'-P energy: -13.728
bonds (distance) P-C4' energy: -17.463
flat angles C4'-P-C4' energy: -18.774
flat angles P-C4'-P energy: -10.935
tors. eta vs tors. theta energy: -7.848
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 337
Temperature: 1.250000
Total energy: -183.286921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.286921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.286921 (E_RNA)
where:
Base-Base interactions energy: -112.248
where: short stacking energy: -55.495
Base-Backbone interact. energy: -0.242
local terms energy: -70.797332
where:
bonds (distance) C4'-P energy: -13.432
bonds (distance) P-C4' energy: -21.701
flat angles C4'-P-C4' energy: -19.711
flat angles P-C4'-P energy: -9.704
tors. eta vs tors. theta energy: -6.250
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 337
Temperature: 1.300000
Total energy: -193.280590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.280590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.280590 (E_RNA)
where:
Base-Base interactions energy: -139.250
where: short stacking energy: -60.069
Base-Backbone interact. energy: -0.174
local terms energy: -53.856285
where:
bonds (distance) C4'-P energy: -13.652
bonds (distance) P-C4' energy: -7.016
flat angles C4'-P-C4' energy: -15.626
flat angles P-C4'-P energy: -7.398
tors. eta vs tors. theta energy: -10.164
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 337
Temperature: 1.350000
Total energy: -106.283454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.283454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.283454 (E_RNA)
where:
Base-Base interactions energy: -45.118
where: short stacking energy: -30.729
Base-Backbone interact. energy: -0.569
local terms energy: -60.596126
where:
bonds (distance) C4'-P energy: -14.516
bonds (distance) P-C4' energy: -19.017
flat angles C4'-P-C4' energy: -13.955
flat angles P-C4'-P energy: -9.008
tors. eta vs tors. theta energy: -4.099
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 338
Temperature: 0.900000
Total energy: -347.400892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.400892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.400892 (E_RNA)
where:
Base-Base interactions energy: -247.709
where: short stacking energy: -94.863
Base-Backbone interact. energy: 0.457
local terms energy: -100.149649
where:
bonds (distance) C4'-P energy: -21.463
bonds (distance) P-C4' energy: -21.103
flat angles C4'-P-C4' energy: -17.773
flat angles P-C4'-P energy: -13.732
tors. eta vs tors. theta energy: -26.079
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 338
Temperature: 0.950000
Total energy: -340.781098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.781098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.781098 (E_RNA)
where:
Base-Base interactions energy: -240.872
where: short stacking energy: -98.047
Base-Backbone interact. energy: -0.106
local terms energy: -99.803333
where:
bonds (distance) C4'-P energy: -18.946
bonds (distance) P-C4' energy: -20.642
flat angles C4'-P-C4' energy: -23.109
flat angles P-C4'-P energy: -15.464
tors. eta vs tors. theta energy: -21.643
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 338
Temperature: 1.000000
Total energy: -324.692244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.692244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.692244 (E_RNA)
where:
Base-Base interactions energy: -223.777
where: short stacking energy: -90.756
Base-Backbone interact. energy: 0.837
local terms energy: -101.752640
where:
bonds (distance) C4'-P energy: -19.326
bonds (distance) P-C4' energy: -22.060
flat angles C4'-P-C4' energy: -22.978
flat angles P-C4'-P energy: -14.081
tors. eta vs tors. theta energy: -23.309
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 338
Temperature: 1.050000
Total energy: -269.353429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.353429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.353429 (E_RNA)
where:
Base-Base interactions energy: -179.582
where: short stacking energy: -80.239
Base-Backbone interact. energy: -0.345
local terms energy: -89.426555
where:
bonds (distance) C4'-P energy: -15.214
bonds (distance) P-C4' energy: -21.553
flat angles C4'-P-C4' energy: -20.928
flat angles P-C4'-P energy: -14.796
tors. eta vs tors. theta energy: -16.935
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 338
Temperature: 1.100000
Total energy: -277.393768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.393768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.393768 (E_RNA)
where:
Base-Base interactions energy: -193.309
where: short stacking energy: -78.715
Base-Backbone interact. energy: 1.099
local terms energy: -85.183813
where:
bonds (distance) C4'-P energy: -18.572
bonds (distance) P-C4' energy: -16.453
flat angles C4'-P-C4' energy: -15.432
flat angles P-C4'-P energy: -14.650
tors. eta vs tors. theta energy: -20.076
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 338
Temperature: 1.150000
Total energy: -253.370971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.370971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.370971 (E_RNA)
where:
Base-Base interactions energy: -174.389
where: short stacking energy: -80.741
Base-Backbone interact. energy: -0.112
local terms energy: -78.870016
where:
bonds (distance) C4'-P energy: -12.698
bonds (distance) P-C4' energy: -20.902
flat angles C4'-P-C4' energy: -18.718
flat angles P-C4'-P energy: -11.608
tors. eta vs tors. theta energy: -14.944
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 338
Temperature: 1.200000
Total energy: -229.334265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.334265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.334265 (E_RNA)
where:
Base-Base interactions energy: -163.828
where: short stacking energy: -60.967
Base-Backbone interact. energy: -0.144
local terms energy: -65.362558
where:
bonds (distance) C4'-P energy: -13.337
bonds (distance) P-C4' energy: -18.431
flat angles C4'-P-C4' energy: -18.400
flat angles P-C4'-P energy: -3.325
tors. eta vs tors. theta energy: -11.869
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 338
Temperature: 1.250000
Total energy: -178.867483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.867483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.867483 (E_RNA)
where:
Base-Base interactions energy: -105.707
where: short stacking energy: -51.897
Base-Backbone interact. energy: -0.509
local terms energy: -72.651729
where:
bonds (distance) C4'-P energy: -15.062
bonds (distance) P-C4' energy: -21.644
flat angles C4'-P-C4' energy: -18.542
flat angles P-C4'-P energy: -12.834
tors. eta vs tors. theta energy: -4.570
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 338
Temperature: 1.300000
Total energy: -225.149719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.149719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.149719 (E_RNA)
where:
Base-Base interactions energy: -147.967
where: short stacking energy: -64.796
Base-Backbone interact. energy: -0.002
local terms energy: -77.181227
where:
bonds (distance) C4'-P energy: -17.526
bonds (distance) P-C4' energy: -12.438
flat angles C4'-P-C4' energy: -20.754
flat angles P-C4'-P energy: -9.050
tors. eta vs tors. theta energy: -17.414
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 338
Temperature: 1.350000
Total energy: -108.610151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.610151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.610151 (E_RNA)
where:
Base-Base interactions energy: -33.773
where: short stacking energy: -33.773
Base-Backbone interact. energy: -0.323
local terms energy: -74.514792
where:
bonds (distance) C4'-P energy: -17.903
bonds (distance) P-C4' energy: -18.464
flat angles C4'-P-C4' energy: -21.212
flat angles P-C4'-P energy: -12.733
tors. eta vs tors. theta energy: -4.202
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 339
Temperature: 0.900000
Total energy: -344.658286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.658286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.658286 (E_RNA)
where:
Base-Base interactions energy: -242.204
where: short stacking energy: -94.230
Base-Backbone interact. energy: -0.448
local terms energy: -102.006697
where:
bonds (distance) C4'-P energy: -20.504
bonds (distance) P-C4' energy: -20.222
flat angles C4'-P-C4' energy: -19.807
flat angles P-C4'-P energy: -16.530
tors. eta vs tors. theta energy: -24.944
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 339
Temperature: 0.950000
Total energy: -327.433742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.433742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.433742 (E_RNA)
where:
Base-Base interactions energy: -226.040
where: short stacking energy: -97.496
Base-Backbone interact. energy: -1.394
local terms energy: -99.999999
where:
bonds (distance) C4'-P energy: -18.224
bonds (distance) P-C4' energy: -18.221
flat angles C4'-P-C4' energy: -25.169
flat angles P-C4'-P energy: -15.101
tors. eta vs tors. theta energy: -23.286
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 339
Temperature: 1.000000
Total energy: -332.918306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.918306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.918306 (E_RNA)
where:
Base-Base interactions energy: -236.311
where: short stacking energy: -98.977
Base-Backbone interact. energy: 0.725
local terms energy: -97.333103
where:
bonds (distance) C4'-P energy: -16.992
bonds (distance) P-C4' energy: -22.194
flat angles C4'-P-C4' energy: -21.613
flat angles P-C4'-P energy: -13.771
tors. eta vs tors. theta energy: -22.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 339
Temperature: 1.050000
Total energy: -303.712355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.712355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.712355 (E_RNA)
where:
Base-Base interactions energy: -197.606
where: short stacking energy: -91.240
Base-Backbone interact. energy: -0.666
local terms energy: -105.440711
where:
bonds (distance) C4'-P energy: -19.143
bonds (distance) P-C4' energy: -20.712
flat angles C4'-P-C4' energy: -22.786
flat angles P-C4'-P energy: -14.880
tors. eta vs tors. theta energy: -27.920
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 339
Temperature: 1.100000
Total energy: -270.465266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.465266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.465266 (E_RNA)
where:
Base-Base interactions energy: -185.255
where: short stacking energy: -80.378
Base-Backbone interact. energy: 0.119
local terms energy: -85.328986
where:
bonds (distance) C4'-P energy: -14.818
bonds (distance) P-C4' energy: -21.670
flat angles C4'-P-C4' energy: -17.627
flat angles P-C4'-P energy: -14.404
tors. eta vs tors. theta energy: -16.810
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 339
Temperature: 1.150000
Total energy: -233.648121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.648121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.648121 (E_RNA)
where:
Base-Base interactions energy: -144.479
where: short stacking energy: -66.966
Base-Backbone interact. energy: 0.329
local terms energy: -89.498144
where:
bonds (distance) C4'-P energy: -19.450
bonds (distance) P-C4' energy: -21.800
flat angles C4'-P-C4' energy: -19.249
flat angles P-C4'-P energy: -14.462
tors. eta vs tors. theta energy: -14.536
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 339
Temperature: 1.200000
Total energy: -228.515547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.515547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.515547 (E_RNA)
where:
Base-Base interactions energy: -155.337
where: short stacking energy: -63.703
Base-Backbone interact. energy: 2.802
local terms energy: -75.980383
where:
bonds (distance) C4'-P energy: -14.686
bonds (distance) P-C4' energy: -17.499
flat angles C4'-P-C4' energy: -19.951
flat angles P-C4'-P energy: -9.384
tors. eta vs tors. theta energy: -14.461
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 339
Temperature: 1.250000
Total energy: -174.625205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.625205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.625205 (E_RNA)
where:
Base-Base interactions energy: -110.784
where: short stacking energy: -50.875
Base-Backbone interact. energy: -0.091
local terms energy: -63.750665
where:
bonds (distance) C4'-P energy: -11.905
bonds (distance) P-C4' energy: -18.110
flat angles C4'-P-C4' energy: -12.110
flat angles P-C4'-P energy: -9.610
tors. eta vs tors. theta energy: -12.016
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 339
Temperature: 1.300000
Total energy: -204.410994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.410994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.410994 (E_RNA)
where:
Base-Base interactions energy: -122.235
where: short stacking energy: -63.183
Base-Backbone interact. energy: -0.198
local terms energy: -81.978026
where:
bonds (distance) C4'-P energy: -12.443
bonds (distance) P-C4' energy: -18.907
flat angles C4'-P-C4' energy: -20.280
flat angles P-C4'-P energy: -15.276
tors. eta vs tors. theta energy: -15.071
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 339
Temperature: 1.350000
Total energy: -94.098674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.098674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.098674 (E_RNA)
where:
Base-Base interactions energy: -32.885
where: short stacking energy: -25.171
Base-Backbone interact. energy: 0.473
local terms energy: -61.686837
where:
bonds (distance) C4'-P energy: -18.235
bonds (distance) P-C4' energy: -20.331
flat angles C4'-P-C4' energy: -14.440
flat angles P-C4'-P energy: -11.234
tors. eta vs tors. theta energy: 2.552
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 340
Temperature: 0.900000
Total energy: -332.685239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.685239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.685239 (E_RNA)
where:
Base-Base interactions energy: -237.768
where: short stacking energy: -96.560
Base-Backbone interact. energy: -0.634
local terms energy: -94.283276
where:
bonds (distance) C4'-P energy: -18.220
bonds (distance) P-C4' energy: -17.520
flat angles C4'-P-C4' energy: -20.387
flat angles P-C4'-P energy: -12.814
tors. eta vs tors. theta energy: -25.342
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 340
Temperature: 0.950000
Total energy: -342.469136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.469136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.469136 (E_RNA)
where:
Base-Base interactions energy: -237.343
where: short stacking energy: -93.636
Base-Backbone interact. energy: -0.353
local terms energy: -104.773884
where:
bonds (distance) C4'-P energy: -20.211
bonds (distance) P-C4' energy: -23.536
flat angles C4'-P-C4' energy: -23.432
flat angles P-C4'-P energy: -14.974
tors. eta vs tors. theta energy: -22.621
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 340
Temperature: 1.000000
Total energy: -301.903644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.903644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.903644 (E_RNA)
where:
Base-Base interactions energy: -213.729
where: short stacking energy: -87.905
Base-Backbone interact. energy: 1.036
local terms energy: -89.210507
where:
bonds (distance) C4'-P energy: -17.502
bonds (distance) P-C4' energy: -17.373
flat angles C4'-P-C4' energy: -19.398
flat angles P-C4'-P energy: -11.777
tors. eta vs tors. theta energy: -23.161
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 340
Temperature: 1.050000
Total energy: -327.163128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.163128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.163128 (E_RNA)
where:
Base-Base interactions energy: -229.009
where: short stacking energy: -92.813
Base-Backbone interact. energy: -0.765
local terms energy: -97.388285
where:
bonds (distance) C4'-P energy: -14.081
bonds (distance) P-C4' energy: -20.591
flat angles C4'-P-C4' energy: -22.197
flat angles P-C4'-P energy: -15.651
tors. eta vs tors. theta energy: -24.868
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 340
Temperature: 1.100000
Total energy: -262.257928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.257928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.257928 (E_RNA)
where:
Base-Base interactions energy: -177.249
where: short stacking energy: -74.481
Base-Backbone interact. energy: -0.108
local terms energy: -84.900719
where:
bonds (distance) C4'-P energy: -15.705
bonds (distance) P-C4' energy: -16.527
flat angles C4'-P-C4' energy: -19.718
flat angles P-C4'-P energy: -16.820
tors. eta vs tors. theta energy: -16.132
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 340
Temperature: 1.150000
Total energy: -222.980967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.980967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.980967 (E_RNA)
where:
Base-Base interactions energy: -137.415
where: short stacking energy: -68.356
Base-Backbone interact. energy: -0.023
local terms energy: -85.543097
where:
bonds (distance) C4'-P energy: -21.202
bonds (distance) P-C4' energy: -15.875
flat angles C4'-P-C4' energy: -18.274
flat angles P-C4'-P energy: -9.959
tors. eta vs tors. theta energy: -20.233
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 340
Temperature: 1.200000
Total energy: -230.154821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.154821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.154821 (E_RNA)
where:
Base-Base interactions energy: -153.628
where: short stacking energy: -70.616
Base-Backbone interact. energy: -0.073
local terms energy: -76.453223
where:
bonds (distance) C4'-P energy: -15.119
bonds (distance) P-C4' energy: -16.379
flat angles C4'-P-C4' energy: -18.341
flat angles P-C4'-P energy: -13.793
tors. eta vs tors. theta energy: -12.821
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 340
Temperature: 1.250000
Total energy: -175.116784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.116784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.116784 (E_RNA)
where:
Base-Base interactions energy: -106.616
where: short stacking energy: -48.162
Base-Backbone interact. energy: -0.337
local terms energy: -68.163484
where:
bonds (distance) C4'-P energy: -12.228
bonds (distance) P-C4' energy: -16.529
flat angles C4'-P-C4' energy: -20.854
flat angles P-C4'-P energy: -12.290
tors. eta vs tors. theta energy: -6.262
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 340
Temperature: 1.300000
Total energy: -219.818567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.818567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.818567 (E_RNA)
where:
Base-Base interactions energy: -145.074
where: short stacking energy: -71.381
Base-Backbone interact. energy: -0.587
local terms energy: -74.158061
where:
bonds (distance) C4'-P energy: -14.767
bonds (distance) P-C4' energy: -14.389
flat angles C4'-P-C4' energy: -15.061
flat angles P-C4'-P energy: -11.856
tors. eta vs tors. theta energy: -18.085
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 340
Temperature: 1.350000
Total energy: -104.739315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.739315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.739315 (E_RNA)
where:
Base-Base interactions energy: -52.857
where: short stacking energy: -34.037
Base-Backbone interact. energy: 1.258
local terms energy: -53.139497
where:
bonds (distance) C4'-P energy: -11.863
bonds (distance) P-C4' energy: -15.163
flat angles C4'-P-C4' energy: -17.669
flat angles P-C4'-P energy: -12.469
tors. eta vs tors. theta energy: 4.024
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 341
Temperature: 0.900000
Total energy: -323.935031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.935031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.935031 (E_RNA)
where:
Base-Base interactions energy: -223.406
where: short stacking energy: -91.356
Base-Backbone interact. energy: -0.652
local terms energy: -99.877309
where:
bonds (distance) C4'-P energy: -21.656
bonds (distance) P-C4' energy: -19.246
flat angles C4'-P-C4' energy: -18.046
flat angles P-C4'-P energy: -18.096
tors. eta vs tors. theta energy: -22.833
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 341
Temperature: 0.950000
Total energy: -339.600415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.600415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.600415 (E_RNA)
where:
Base-Base interactions energy: -245.237
where: short stacking energy: -94.231
Base-Backbone interact. energy: 0.450
local terms energy: -94.813034
where:
bonds (distance) C4'-P energy: -16.116
bonds (distance) P-C4' energy: -20.995
flat angles C4'-P-C4' energy: -20.032
flat angles P-C4'-P energy: -15.413
tors. eta vs tors. theta energy: -22.257
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 341
Temperature: 1.000000
Total energy: -306.561120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.561120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.561120 (E_RNA)
where:
Base-Base interactions energy: -211.548
where: short stacking energy: -90.795
Base-Backbone interact. energy: -0.103
local terms energy: -94.909892
where:
bonds (distance) C4'-P energy: -17.973
bonds (distance) P-C4' energy: -22.574
flat angles C4'-P-C4' energy: -18.882
flat angles P-C4'-P energy: -11.495
tors. eta vs tors. theta energy: -23.986
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 341
Temperature: 1.050000
Total energy: -329.945335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.945335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.945335 (E_RNA)
where:
Base-Base interactions energy: -227.931
where: short stacking energy: -91.651
Base-Backbone interact. energy: -0.497
local terms energy: -101.517546
where:
bonds (distance) C4'-P energy: -20.776
bonds (distance) P-C4' energy: -21.029
flat angles C4'-P-C4' energy: -21.358
flat angles P-C4'-P energy: -16.697
tors. eta vs tors. theta energy: -21.657
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 341
Temperature: 1.100000
Total energy: -268.948229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.948229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.948229 (E_RNA)
where:
Base-Base interactions energy: -186.521
where: short stacking energy: -79.341
Base-Backbone interact. energy: -0.352
local terms energy: -82.074599
where:
bonds (distance) C4'-P energy: -19.773
bonds (distance) P-C4' energy: -16.631
flat angles C4'-P-C4' energy: -20.025
flat angles P-C4'-P energy: -13.088
tors. eta vs tors. theta energy: -12.558
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 341
Temperature: 1.150000
Total energy: -261.175759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.175759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.175759 (E_RNA)
where:
Base-Base interactions energy: -165.531
where: short stacking energy: -73.655
Base-Backbone interact. energy: -0.746
local terms energy: -94.899440
where:
bonds (distance) C4'-P energy: -19.949
bonds (distance) P-C4' energy: -19.362
flat angles C4'-P-C4' energy: -21.320
flat angles P-C4'-P energy: -16.954
tors. eta vs tors. theta energy: -17.314
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 341
Temperature: 1.200000
Total energy: -227.123961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.123961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.123961 (E_RNA)
where:
Base-Base interactions energy: -146.953
where: short stacking energy: -66.652
Base-Backbone interact. energy: -0.111
local terms energy: -80.060081
where:
bonds (distance) C4'-P energy: -21.041
bonds (distance) P-C4' energy: -16.515
flat angles C4'-P-C4' energy: -19.804
flat angles P-C4'-P energy: -9.363
tors. eta vs tors. theta energy: -13.338
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 341
Temperature: 1.250000
Total energy: -214.530273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.530273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.530273 (E_RNA)
where:
Base-Base interactions energy: -140.720
where: short stacking energy: -62.899
Base-Backbone interact. energy: 0.466
local terms energy: -74.275985
where:
bonds (distance) C4'-P energy: -16.478
bonds (distance) P-C4' energy: -17.918
flat angles C4'-P-C4' energy: -10.983
flat angles P-C4'-P energy: -13.901
tors. eta vs tors. theta energy: -14.996
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 341
Temperature: 1.300000
Total energy: -162.719097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.719097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.719097 (E_RNA)
where:
Base-Base interactions energy: -86.791
where: short stacking energy: -46.605
Base-Backbone interact. energy: -0.192
local terms energy: -75.736766
where:
bonds (distance) C4'-P energy: -16.565
bonds (distance) P-C4' energy: -22.972
flat angles C4'-P-C4' energy: -19.670
flat angles P-C4'-P energy: -14.720
tors. eta vs tors. theta energy: -1.810
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 341
Temperature: 1.350000
Total energy: -111.796075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.796075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.796075 (E_RNA)
where:
Base-Base interactions energy: -52.509
where: short stacking energy: -30.428
Base-Backbone interact. energy: -0.790
local terms energy: -58.497238
where:
bonds (distance) C4'-P energy: -19.319
bonds (distance) P-C4' energy: -18.768
flat angles C4'-P-C4' energy: -13.663
flat angles P-C4'-P energy: -8.992
tors. eta vs tors. theta energy: 2.246
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 342
Temperature: 0.900000
Total energy: -346.546207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.546207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.546207 (E_RNA)
where:
Base-Base interactions energy: -242.066
where: short stacking energy: -96.546
Base-Backbone interact. energy: 1.621
local terms energy: -106.101666
where:
bonds (distance) C4'-P energy: -21.112
bonds (distance) P-C4' energy: -20.047
flat angles C4'-P-C4' energy: -21.387
flat angles P-C4'-P energy: -17.791
tors. eta vs tors. theta energy: -25.765
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 342
Temperature: 0.950000
Total energy: -328.819426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.819426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.819426 (E_RNA)
where:
Base-Base interactions energy: -231.672
where: short stacking energy: -98.268
Base-Backbone interact. energy: -0.790
local terms energy: -96.357977
where:
bonds (distance) C4'-P energy: -17.502
bonds (distance) P-C4' energy: -17.415
flat angles C4'-P-C4' energy: -19.935
flat angles P-C4'-P energy: -15.135
tors. eta vs tors. theta energy: -26.372
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 342
Temperature: 1.000000
Total energy: -325.172322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.172322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.172322 (E_RNA)
where:
Base-Base interactions energy: -226.704
where: short stacking energy: -94.782
Base-Backbone interact. energy: -0.340
local terms energy: -98.127876
where:
bonds (distance) C4'-P energy: -19.004
bonds (distance) P-C4' energy: -19.706
flat angles C4'-P-C4' energy: -19.292
flat angles P-C4'-P energy: -16.974
tors. eta vs tors. theta energy: -23.152
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 342
Temperature: 1.050000
Total energy: -299.587490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.587490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.587490 (E_RNA)
where:
Base-Base interactions energy: -200.396
where: short stacking energy: -94.301
Base-Backbone interact. energy: -0.415
local terms energy: -98.776159
where:
bonds (distance) C4'-P energy: -17.228
bonds (distance) P-C4' energy: -22.226
flat angles C4'-P-C4' energy: -22.180
flat angles P-C4'-P energy: -10.607
tors. eta vs tors. theta energy: -26.536
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 342
Temperature: 1.100000
Total energy: -272.090759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.090759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.090759 (E_RNA)
where:
Base-Base interactions energy: -184.444
where: short stacking energy: -82.701
Base-Backbone interact. energy: -0.132
local terms energy: -87.514638
where:
bonds (distance) C4'-P energy: -21.502
bonds (distance) P-C4' energy: -22.646
flat angles C4'-P-C4' energy: -17.771
flat angles P-C4'-P energy: -7.442
tors. eta vs tors. theta energy: -18.154
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 342
Temperature: 1.150000
Total energy: -257.426296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.426296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.426296 (E_RNA)
where:
Base-Base interactions energy: -177.311
where: short stacking energy: -76.355
Base-Backbone interact. energy: 0.252
local terms energy: -80.366591
where:
bonds (distance) C4'-P energy: -15.216
bonds (distance) P-C4' energy: -19.478
flat angles C4'-P-C4' energy: -15.814
flat angles P-C4'-P energy: -13.248
tors. eta vs tors. theta energy: -16.611
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 342
Temperature: 1.200000
Total energy: -232.889267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.889267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.889267 (E_RNA)
where:
Base-Base interactions energy: -153.982
where: short stacking energy: -68.938
Base-Backbone interact. energy: -0.184
local terms energy: -78.723468
where:
bonds (distance) C4'-P energy: -17.227
bonds (distance) P-C4' energy: -22.914
flat angles C4'-P-C4' energy: -14.851
flat angles P-C4'-P energy: -9.816
tors. eta vs tors. theta energy: -13.916
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 342
Temperature: 1.250000
Total energy: -227.784771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.784771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.784771 (E_RNA)
where:
Base-Base interactions energy: -145.919
where: short stacking energy: -68.795
Base-Backbone interact. energy: -0.660
local terms energy: -81.205844
where:
bonds (distance) C4'-P energy: -18.488
bonds (distance) P-C4' energy: -19.823
flat angles C4'-P-C4' energy: -18.570
flat angles P-C4'-P energy: -9.548
tors. eta vs tors. theta energy: -14.778
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 342
Temperature: 1.300000
Total energy: -167.696779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.696779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.696779 (E_RNA)
where:
Base-Base interactions energy: -104.401
where: short stacking energy: -48.996
Base-Backbone interact. energy: -0.762
local terms energy: -62.534073
where:
bonds (distance) C4'-P energy: -12.916
bonds (distance) P-C4' energy: -19.427
flat angles C4'-P-C4' energy: -10.814
flat angles P-C4'-P energy: -9.796
tors. eta vs tors. theta energy: -9.581
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 342
Temperature: 1.350000
Total energy: -98.965464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.965464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.965464 (E_RNA)
where:
Base-Base interactions energy: -37.281
where: short stacking energy: -35.299
Base-Backbone interact. energy: 0.782
local terms energy: -62.466317
where:
bonds (distance) C4'-P energy: -13.488
bonds (distance) P-C4' energy: -16.481
flat angles C4'-P-C4' energy: -10.390
flat angles P-C4'-P energy: -9.661
tors. eta vs tors. theta energy: -12.446
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 343
Temperature: 0.900000
Total energy: -341.252952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.252952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.252952 (E_RNA)
where:
Base-Base interactions energy: -241.838
where: short stacking energy: -100.550
Base-Backbone interact. energy: 0.188
local terms energy: -99.602848
where:
bonds (distance) C4'-P energy: -19.116
bonds (distance) P-C4' energy: -21.690
flat angles C4'-P-C4' energy: -18.709
flat angles P-C4'-P energy: -14.525
tors. eta vs tors. theta energy: -25.563
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 343
Temperature: 0.950000
Total energy: -324.740757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.740757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.740757 (E_RNA)
where:
Base-Base interactions energy: -235.556
where: short stacking energy: -101.458
Base-Backbone interact. energy: -1.768
local terms energy: -87.416674
where:
bonds (distance) C4'-P energy: -13.265
bonds (distance) P-C4' energy: -17.940
flat angles C4'-P-C4' energy: -18.079
flat angles P-C4'-P energy: -11.592
tors. eta vs tors. theta energy: -26.542
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 343
Temperature: 1.000000
Total energy: -323.803297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.803297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.803297 (E_RNA)
where:
Base-Base interactions energy: -223.306
where: short stacking energy: -87.395
Base-Backbone interact. energy: -0.577
local terms energy: -99.920976
where:
bonds (distance) C4'-P energy: -13.092
bonds (distance) P-C4' energy: -20.915
flat angles C4'-P-C4' energy: -22.217
flat angles P-C4'-P energy: -16.750
tors. eta vs tors. theta energy: -26.947
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 343
Temperature: 1.050000
Total energy: -297.364210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.364210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.364210 (E_RNA)
where:
Base-Base interactions energy: -205.115
where: short stacking energy: -84.574
Base-Backbone interact. energy: -0.960
local terms energy: -91.289181
where:
bonds (distance) C4'-P energy: -20.411
bonds (distance) P-C4' energy: -14.351
flat angles C4'-P-C4' energy: -22.228
flat angles P-C4'-P energy: -10.120
tors. eta vs tors. theta energy: -24.180
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 343
Temperature: 1.100000
Total energy: -269.895956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.895956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.895956 (E_RNA)
where:
Base-Base interactions energy: -185.993
where: short stacking energy: -75.053
Base-Backbone interact. energy: -0.198
local terms energy: -83.704924
where:
bonds (distance) C4'-P energy: -18.494
bonds (distance) P-C4' energy: -16.098
flat angles C4'-P-C4' energy: -18.124
flat angles P-C4'-P energy: -10.727
tors. eta vs tors. theta energy: -20.263
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 343
Temperature: 1.150000
Total energy: -225.981996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.981996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.981996 (E_RNA)
where:
Base-Base interactions energy: -140.645
where: short stacking energy: -72.985
Base-Backbone interact. energy: -0.107
local terms energy: -85.230836
where:
bonds (distance) C4'-P energy: -21.454
bonds (distance) P-C4' energy: -18.717
flat angles C4'-P-C4' energy: -18.026
flat angles P-C4'-P energy: -8.372
tors. eta vs tors. theta energy: -18.662
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 343
Temperature: 1.200000
Total energy: -241.376738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.376738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.376738 (E_RNA)
where:
Base-Base interactions energy: -165.615
where: short stacking energy: -67.705
Base-Backbone interact. energy: -0.399
local terms energy: -75.363190
where:
bonds (distance) C4'-P energy: -8.766
bonds (distance) P-C4' energy: -19.653
flat angles C4'-P-C4' energy: -19.355
flat angles P-C4'-P energy: -14.314
tors. eta vs tors. theta energy: -13.275
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 343
Temperature: 1.250000
Total energy: -226.322467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.322467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.322467 (E_RNA)
where:
Base-Base interactions energy: -142.357
where: short stacking energy: -66.241
Base-Backbone interact. energy: -0.080
local terms energy: -83.885817
where:
bonds (distance) C4'-P energy: -21.123
bonds (distance) P-C4' energy: -19.033
flat angles C4'-P-C4' energy: -21.548
flat angles P-C4'-P energy: -9.403
tors. eta vs tors. theta energy: -12.780
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 343
Temperature: 1.300000
Total energy: -161.135342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.135342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.135342 (E_RNA)
where:
Base-Base interactions energy: -95.068
where: short stacking energy: -55.171
Base-Backbone interact. energy: -0.076
local terms energy: -65.990605
where:
bonds (distance) C4'-P energy: -11.455
bonds (distance) P-C4' energy: -17.990
flat angles C4'-P-C4' energy: -19.644
flat angles P-C4'-P energy: -10.462
tors. eta vs tors. theta energy: -6.440
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 343
Temperature: 1.350000
Total energy: -107.276536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.276536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.276536 (E_RNA)
where:
Base-Base interactions energy: -44.173
where: short stacking energy: -45.873
Base-Backbone interact. energy: -0.115
local terms energy: -62.987959
where:
bonds (distance) C4'-P energy: -8.781
bonds (distance) P-C4' energy: -20.115
flat angles C4'-P-C4' energy: -14.644
flat angles P-C4'-P energy: -9.879
tors. eta vs tors. theta energy: -9.569
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 344
Temperature: 0.900000
Total energy: -335.416691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.416691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.416691 (E_RNA)
where:
Base-Base interactions energy: -235.982
where: short stacking energy: -98.623
Base-Backbone interact. energy: -1.018
local terms energy: -98.417047
where:
bonds (distance) C4'-P energy: -18.612
bonds (distance) P-C4' energy: -18.195
flat angles C4'-P-C4' energy: -21.709
flat angles P-C4'-P energy: -12.923
tors. eta vs tors. theta energy: -26.978
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 344
Temperature: 0.950000
Total energy: -342.299915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.299915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.299915 (E_RNA)
where:
Base-Base interactions energy: -239.359
where: short stacking energy: -97.546
Base-Backbone interact. energy: -0.923
local terms energy: -102.018143
where:
bonds (distance) C4'-P energy: -21.974
bonds (distance) P-C4' energy: -18.113
flat angles C4'-P-C4' energy: -20.351
flat angles P-C4'-P energy: -16.628
tors. eta vs tors. theta energy: -24.953
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 344
Temperature: 1.000000
Total energy: -326.835760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.835760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.835760 (E_RNA)
where:
Base-Base interactions energy: -227.982
where: short stacking energy: -97.772
Base-Backbone interact. energy: -0.373
local terms energy: -98.481039
where:
bonds (distance) C4'-P energy: -19.079
bonds (distance) P-C4' energy: -21.492
flat angles C4'-P-C4' energy: -20.457
flat angles P-C4'-P energy: -12.254
tors. eta vs tors. theta energy: -25.199
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 344
Temperature: 1.050000
Total energy: -286.104643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.104643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.104643 (E_RNA)
where:
Base-Base interactions energy: -197.118
where: short stacking energy: -88.765
Base-Backbone interact. energy: -0.413
local terms energy: -88.573922
where:
bonds (distance) C4'-P energy: -18.707
bonds (distance) P-C4' energy: -14.076
flat angles C4'-P-C4' energy: -22.388
flat angles P-C4'-P energy: -9.428
tors. eta vs tors. theta energy: -23.975
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 344
Temperature: 1.100000
Total energy: -238.487803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.487803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.487803 (E_RNA)
where:
Base-Base interactions energy: -147.128
where: short stacking energy: -72.982
Base-Backbone interact. energy: -0.048
local terms energy: -91.311608
where:
bonds (distance) C4'-P energy: -20.972
bonds (distance) P-C4' energy: -19.079
flat angles C4'-P-C4' energy: -17.604
flat angles P-C4'-P energy: -13.967
tors. eta vs tors. theta energy: -19.690
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 344
Temperature: 1.150000
Total energy: -267.625686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.625686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.625686 (E_RNA)
where:
Base-Base interactions energy: -184.029
where: short stacking energy: -67.656
Base-Backbone interact. energy: -0.663
local terms energy: -82.933118
where:
bonds (distance) C4'-P energy: -16.818
bonds (distance) P-C4' energy: -17.272
flat angles C4'-P-C4' energy: -13.046
flat angles P-C4'-P energy: -14.029
tors. eta vs tors. theta energy: -21.768
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 344
Temperature: 1.200000
Total energy: -241.755884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.755884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.755884 (E_RNA)
where:
Base-Base interactions energy: -159.229
where: short stacking energy: -68.300
Base-Backbone interact. energy: -0.094
local terms energy: -82.432708
where:
bonds (distance) C4'-P energy: -13.486
bonds (distance) P-C4' energy: -23.613
flat angles C4'-P-C4' energy: -18.025
flat angles P-C4'-P energy: -13.215
tors. eta vs tors. theta energy: -14.094
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 344
Temperature: 1.250000
Total energy: -222.187041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.187041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.187041 (E_RNA)
where:
Base-Base interactions energy: -149.753
where: short stacking energy: -71.311
Base-Backbone interact. energy: 0.779
local terms energy: -73.212542
where:
bonds (distance) C4'-P energy: -14.968
bonds (distance) P-C4' energy: -15.557
flat angles C4'-P-C4' energy: -15.366
flat angles P-C4'-P energy: -13.535
tors. eta vs tors. theta energy: -13.787
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 344
Temperature: 1.300000
Total energy: -113.116945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.116945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.116945 (E_RNA)
where:
Base-Base interactions energy: -50.828
where: short stacking energy: -46.240
Base-Backbone interact. energy: 2.691
local terms energy: -64.979966
where:
bonds (distance) C4'-P energy: -16.383
bonds (distance) P-C4' energy: -10.219
flat angles C4'-P-C4' energy: -17.313
flat angles P-C4'-P energy: -8.396
tors. eta vs tors. theta energy: -12.668
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 344
Temperature: 1.350000
Total energy: -133.879868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.879868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.879868 (E_RNA)
where:
Base-Base interactions energy: -74.284
where: short stacking energy: -49.898
Base-Backbone interact. energy: -0.167
local terms energy: -59.429131
where:
bonds (distance) C4'-P energy: -17.895
bonds (distance) P-C4' energy: -8.390
flat angles C4'-P-C4' energy: -18.414
flat angles P-C4'-P energy: -7.789
tors. eta vs tors. theta energy: -6.941
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 345
Temperature: 0.900000
Total energy: -327.438349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.438349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.438349 (E_RNA)
where:
Base-Base interactions energy: -224.877
where: short stacking energy: -92.043
Base-Backbone interact. energy: -1.031
local terms energy: -101.529474
where:
bonds (distance) C4'-P energy: -17.347
bonds (distance) P-C4' energy: -18.202
flat angles C4'-P-C4' energy: -21.538
flat angles P-C4'-P energy: -17.995
tors. eta vs tors. theta energy: -26.447
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 345
Temperature: 0.950000
Total energy: -334.816681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.816681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.816681 (E_RNA)
where:
Base-Base interactions energy: -241.132
where: short stacking energy: -99.952
Base-Backbone interact. energy: -0.740
local terms energy: -92.945397
where:
bonds (distance) C4'-P energy: -16.677
bonds (distance) P-C4' energy: -17.661
flat angles C4'-P-C4' energy: -18.590
flat angles P-C4'-P energy: -15.881
tors. eta vs tors. theta energy: -24.137
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 345
Temperature: 1.000000
Total energy: -339.681229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.681229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.681229 (E_RNA)
where:
Base-Base interactions energy: -246.523
where: short stacking energy: -91.299
Base-Backbone interact. energy: -0.152
local terms energy: -93.006728
where:
bonds (distance) C4'-P energy: -17.944
bonds (distance) P-C4' energy: -14.711
flat angles C4'-P-C4' energy: -22.409
flat angles P-C4'-P energy: -17.108
tors. eta vs tors. theta energy: -20.835
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 345
Temperature: 1.050000
Total energy: -295.215631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.215631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.215631 (E_RNA)
where:
Base-Base interactions energy: -201.093
where: short stacking energy: -82.277
Base-Backbone interact. energy: -0.084
local terms energy: -94.037860
where:
bonds (distance) C4'-P energy: -17.665
bonds (distance) P-C4' energy: -21.029
flat angles C4'-P-C4' energy: -22.777
flat angles P-C4'-P energy: -9.369
tors. eta vs tors. theta energy: -23.199
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 345
Temperature: 1.100000
Total energy: -243.166992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.166992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.166992 (E_RNA)
where:
Base-Base interactions energy: -159.462
where: short stacking energy: -78.027
Base-Backbone interact. energy: -0.217
local terms energy: -83.487309
where:
bonds (distance) C4'-P energy: -18.027
bonds (distance) P-C4' energy: -20.742
flat angles C4'-P-C4' energy: -21.060
flat angles P-C4'-P energy: -6.474
tors. eta vs tors. theta energy: -17.184
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 345
Temperature: 1.150000
Total energy: -242.007820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.007820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.007820 (E_RNA)
where:
Base-Base interactions energy: -158.427
where: short stacking energy: -70.934
Base-Backbone interact. energy: -0.085
local terms energy: -83.495888
where:
bonds (distance) C4'-P energy: -16.048
bonds (distance) P-C4' energy: -15.819
flat angles C4'-P-C4' energy: -17.789
flat angles P-C4'-P energy: -15.208
tors. eta vs tors. theta energy: -18.632
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 345
Temperature: 1.200000
Total energy: -244.465585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.465585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.465585 (E_RNA)
where:
Base-Base interactions energy: -155.374
where: short stacking energy: -59.632
Base-Backbone interact. energy: -0.852
local terms energy: -88.240193
where:
bonds (distance) C4'-P energy: -19.293
bonds (distance) P-C4' energy: -19.461
flat angles C4'-P-C4' energy: -18.716
flat angles P-C4'-P energy: -16.596
tors. eta vs tors. theta energy: -14.175
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 345
Temperature: 1.250000
Total energy: -246.144743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.144743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.144743 (E_RNA)
where:
Base-Base interactions energy: -160.549
where: short stacking energy: -75.620
Base-Backbone interact. energy: -0.128
local terms energy: -85.467886
where:
bonds (distance) C4'-P energy: -15.324
bonds (distance) P-C4' energy: -16.915
flat angles C4'-P-C4' energy: -21.274
flat angles P-C4'-P energy: -14.640
tors. eta vs tors. theta energy: -17.315
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 345
Temperature: 1.300000
Total energy: -121.175483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.175483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.175483 (E_RNA)
where:
Base-Base interactions energy: -49.678
where: short stacking energy: -42.530
Base-Backbone interact. energy: -0.331
local terms energy: -71.166913
where:
bonds (distance) C4'-P energy: -17.339
bonds (distance) P-C4' energy: -17.690
flat angles C4'-P-C4' energy: -18.465
flat angles P-C4'-P energy: -9.680
tors. eta vs tors. theta energy: -7.992
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 345
Temperature: 1.350000
Total energy: -107.699614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.699614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.699614 (E_RNA)
where:
Base-Base interactions energy: -48.677
where: short stacking energy: -46.226
Base-Backbone interact. energy: -0.450
local terms energy: -58.572269
where:
bonds (distance) C4'-P energy: -19.205
bonds (distance) P-C4' energy: -13.853
flat angles C4'-P-C4' energy: -13.709
flat angles P-C4'-P energy: -6.000
tors. eta vs tors. theta energy: -5.805
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 346
Temperature: 0.900000
Total energy: -343.201518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.201518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.201518 (E_RNA)
where:
Base-Base interactions energy: -245.934
where: short stacking energy: -103.742
Base-Backbone interact. energy: -0.545
local terms energy: -96.721998
where:
bonds (distance) C4'-P energy: -19.791
bonds (distance) P-C4' energy: -16.376
flat angles C4'-P-C4' energy: -20.442
flat angles P-C4'-P energy: -15.230
tors. eta vs tors. theta energy: -24.884
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 346
Temperature: 0.950000
Total energy: -325.158810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.158810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.158810 (E_RNA)
where:
Base-Base interactions energy: -226.150
where: short stacking energy: -94.244
Base-Backbone interact. energy: -0.633
local terms energy: -98.375472
where:
bonds (distance) C4'-P energy: -20.481
bonds (distance) P-C4' energy: -20.942
flat angles C4'-P-C4' energy: -18.933
flat angles P-C4'-P energy: -14.007
tors. eta vs tors. theta energy: -24.012
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 346
Temperature: 1.000000
Total energy: -354.636772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.636772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.636772 (E_RNA)
where:
Base-Base interactions energy: -247.907
where: short stacking energy: -102.306
Base-Backbone interact. energy: -0.291
local terms energy: -106.438597
where:
bonds (distance) C4'-P energy: -18.180
bonds (distance) P-C4' energy: -21.229
flat angles C4'-P-C4' energy: -23.603
flat angles P-C4'-P energy: -15.405
tors. eta vs tors. theta energy: -28.022
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 346
Temperature: 1.050000
Total energy: -290.281156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.281156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.281156 (E_RNA)
where:
Base-Base interactions energy: -199.666
where: short stacking energy: -89.495
Base-Backbone interact. energy: -0.096
local terms energy: -90.519081
where:
bonds (distance) C4'-P energy: -19.725
bonds (distance) P-C4' energy: -15.396
flat angles C4'-P-C4' energy: -21.219
flat angles P-C4'-P energy: -10.458
tors. eta vs tors. theta energy: -23.721
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 346
Temperature: 1.100000
Total energy: -261.676889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.676889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.676889 (E_RNA)
where:
Base-Base interactions energy: -171.074
where: short stacking energy: -75.231
Base-Backbone interact. energy: -0.893
local terms energy: -89.710655
where:
bonds (distance) C4'-P energy: -16.420
bonds (distance) P-C4' energy: -20.842
flat angles C4'-P-C4' energy: -20.524
flat angles P-C4'-P energy: -15.059
tors. eta vs tors. theta energy: -16.865
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 346
Temperature: 1.150000
Total energy: -232.319117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.319117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.319117 (E_RNA)
where:
Base-Base interactions energy: -152.345
where: short stacking energy: -78.018
Base-Backbone interact. energy: -0.404
local terms energy: -79.570318
where:
bonds (distance) C4'-P energy: -19.886
bonds (distance) P-C4' energy: -15.656
flat angles C4'-P-C4' energy: -11.975
flat angles P-C4'-P energy: -15.425
tors. eta vs tors. theta energy: -16.630
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 346
Temperature: 1.200000
Total energy: -252.985789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.985789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.985789 (E_RNA)
where:
Base-Base interactions energy: -167.951
where: short stacking energy: -64.332
Base-Backbone interact. energy: -0.237
local terms energy: -84.797645
where:
bonds (distance) C4'-P energy: -18.801
bonds (distance) P-C4' energy: -21.571
flat angles C4'-P-C4' energy: -17.002
flat angles P-C4'-P energy: -10.320
tors. eta vs tors. theta energy: -17.104
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 346
Temperature: 1.250000
Total energy: -223.067553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.067553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.067553 (E_RNA)
where:
Base-Base interactions energy: -139.965
where: short stacking energy: -58.665
Base-Backbone interact. energy: 0.734
local terms energy: -83.836567
where:
bonds (distance) C4'-P energy: -17.634
bonds (distance) P-C4' energy: -16.072
flat angles C4'-P-C4' energy: -20.181
flat angles P-C4'-P energy: -14.388
tors. eta vs tors. theta energy: -15.562
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 346
Temperature: 1.300000
Total energy: -167.913058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.913058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.913058 (E_RNA)
where:
Base-Base interactions energy: -99.707
where: short stacking energy: -41.549
Base-Backbone interact. energy: -0.130
local terms energy: -68.076384
where:
bonds (distance) C4'-P energy: -20.462
bonds (distance) P-C4' energy: -16.606
flat angles C4'-P-C4' energy: -19.870
flat angles P-C4'-P energy: -2.053
tors. eta vs tors. theta energy: -9.085
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 346
Temperature: 1.350000
Total energy: -103.843591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.843591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.843591 (E_RNA)
where:
Base-Base interactions energy: -46.018
where: short stacking energy: -42.218
Base-Backbone interact. energy: -0.529
local terms energy: -57.297337
where:
bonds (distance) C4'-P energy: -17.679
bonds (distance) P-C4' energy: -17.082
flat angles C4'-P-C4' energy: -10.787
flat angles P-C4'-P energy: -7.784
tors. eta vs tors. theta energy: -3.965
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 347
Temperature: 0.900000
Total energy: -344.514297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.514297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.514297 (E_RNA)
where:
Base-Base interactions energy: -242.820
where: short stacking energy: -98.339
Base-Backbone interact. energy: -0.548
local terms energy: -101.146416
where:
bonds (distance) C4'-P energy: -21.065
bonds (distance) P-C4' energy: -17.870
flat angles C4'-P-C4' energy: -18.630
flat angles P-C4'-P energy: -16.852
tors. eta vs tors. theta energy: -26.730
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 347
Temperature: 0.950000
Total energy: -350.724838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.724838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.724838 (E_RNA)
where:
Base-Base interactions energy: -254.516
where: short stacking energy: -102.591
Base-Backbone interact. energy: 3.267
local terms energy: -99.476135
where:
bonds (distance) C4'-P energy: -16.631
bonds (distance) P-C4' energy: -16.252
flat angles C4'-P-C4' energy: -23.434
flat angles P-C4'-P energy: -16.948
tors. eta vs tors. theta energy: -26.212
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 347
Temperature: 1.000000
Total energy: -330.362607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.362607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.362607 (E_RNA)
where:
Base-Base interactions energy: -238.770
where: short stacking energy: -98.307
Base-Backbone interact. energy: 0.465
local terms energy: -92.057579
where:
bonds (distance) C4'-P energy: -17.277
bonds (distance) P-C4' energy: -18.137
flat angles C4'-P-C4' energy: -17.893
flat angles P-C4'-P energy: -16.237
tors. eta vs tors. theta energy: -22.513
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 347
Temperature: 1.050000
Total energy: -277.234872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.234872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.234872 (E_RNA)
where:
Base-Base interactions energy: -182.820
where: short stacking energy: -85.217
Base-Backbone interact. energy: -0.477
local terms energy: -93.937021
where:
bonds (distance) C4'-P energy: -18.302
bonds (distance) P-C4' energy: -24.918
flat angles C4'-P-C4' energy: -18.571
flat angles P-C4'-P energy: -14.247
tors. eta vs tors. theta energy: -17.899
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 347
Temperature: 1.100000
Total energy: -286.036680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.036680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.036680 (E_RNA)
where:
Base-Base interactions energy: -188.413
where: short stacking energy: -82.016
Base-Backbone interact. energy: -0.257
local terms energy: -97.366830
where:
bonds (distance) C4'-P energy: -18.034
bonds (distance) P-C4' energy: -21.115
flat angles C4'-P-C4' energy: -20.607
flat angles P-C4'-P energy: -13.049
tors. eta vs tors. theta energy: -24.562
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 347
Temperature: 1.150000
Total energy: -259.660303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.660303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.660303 (E_RNA)
where:
Base-Base interactions energy: -184.085
where: short stacking energy: -77.399
Base-Backbone interact. energy: -0.226
local terms energy: -75.349934
where:
bonds (distance) C4'-P energy: -16.479
bonds (distance) P-C4' energy: -14.753
flat angles C4'-P-C4' energy: -16.642
flat angles P-C4'-P energy: -11.305
tors. eta vs tors. theta energy: -16.170
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 347
Temperature: 1.200000
Total energy: -225.396762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.396762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.396762 (E_RNA)
where:
Base-Base interactions energy: -154.081
where: short stacking energy: -71.981
Base-Backbone interact. energy: -0.389
local terms energy: -70.925960
where:
bonds (distance) C4'-P energy: -15.112
bonds (distance) P-C4' energy: -13.631
flat angles C4'-P-C4' energy: -15.698
flat angles P-C4'-P energy: -11.487
tors. eta vs tors. theta energy: -14.997
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 347
Temperature: 1.250000
Total energy: -217.321103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.321103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.321103 (E_RNA)
where:
Base-Base interactions energy: -140.124
where: short stacking energy: -63.641
Base-Backbone interact. energy: -0.536
local terms energy: -76.661686
where:
bonds (distance) C4'-P energy: -14.377
bonds (distance) P-C4' energy: -20.980
flat angles C4'-P-C4' energy: -15.069
flat angles P-C4'-P energy: -12.726
tors. eta vs tors. theta energy: -13.509
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 347
Temperature: 1.300000
Total energy: -191.216378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.216378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.216378 (E_RNA)
where:
Base-Base interactions energy: -114.313
where: short stacking energy: -65.131
Base-Backbone interact. energy: -1.040
local terms energy: -75.863401
where:
bonds (distance) C4'-P energy: -18.539
bonds (distance) P-C4' energy: -15.768
flat angles C4'-P-C4' energy: -16.582
flat angles P-C4'-P energy: -7.282
tors. eta vs tors. theta energy: -17.691
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 347
Temperature: 1.350000
Total energy: -113.394490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.394490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.394490 (E_RNA)
where:
Base-Base interactions energy: -47.869
where: short stacking energy: -40.768
Base-Backbone interact. energy: -0.278
local terms energy: -65.247337
where:
bonds (distance) C4'-P energy: -18.291
bonds (distance) P-C4' energy: -16.091
flat angles C4'-P-C4' energy: -15.014
flat angles P-C4'-P energy: -11.788
tors. eta vs tors. theta energy: -4.063
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 348
Temperature: 0.900000
Total energy: -351.552028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.552028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.552028 (E_RNA)
where:
Base-Base interactions energy: -259.045
where: short stacking energy: -96.591
Base-Backbone interact. energy: 0.172
local terms energy: -92.679782
where:
bonds (distance) C4'-P energy: -19.145
bonds (distance) P-C4' energy: -18.393
flat angles C4'-P-C4' energy: -22.827
flat angles P-C4'-P energy: -10.855
tors. eta vs tors. theta energy: -21.459
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 348
Temperature: 0.950000
Total energy: -334.989360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.989360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.989360 (E_RNA)
where:
Base-Base interactions energy: -237.789
where: short stacking energy: -100.263
Base-Backbone interact. energy: -1.040
local terms energy: -96.159921
where:
bonds (distance) C4'-P energy: -17.561
bonds (distance) P-C4' energy: -15.472
flat angles C4'-P-C4' energy: -19.901
flat angles P-C4'-P energy: -19.330
tors. eta vs tors. theta energy: -23.896
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 348
Temperature: 1.000000
Total energy: -327.132022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.132022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.132022 (E_RNA)
where:
Base-Base interactions energy: -223.818
where: short stacking energy: -92.276
Base-Backbone interact. energy: -0.807
local terms energy: -102.507351
where:
bonds (distance) C4'-P energy: -17.754
bonds (distance) P-C4' energy: -22.471
flat angles C4'-P-C4' energy: -21.451
flat angles P-C4'-P energy: -15.656
tors. eta vs tors. theta energy: -25.175
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 348
Temperature: 1.050000
Total energy: -262.539899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.539899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.539899 (E_RNA)
where:
Base-Base interactions energy: -175.073
where: short stacking energy: -79.303
Base-Backbone interact. energy: -0.839
local terms energy: -86.628604
where:
bonds (distance) C4'-P energy: -16.268
bonds (distance) P-C4' energy: -18.619
flat angles C4'-P-C4' energy: -19.027
flat angles P-C4'-P energy: -13.817
tors. eta vs tors. theta energy: -18.898
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 348
Temperature: 1.100000
Total energy: -280.846423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.846423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.846423 (E_RNA)
where:
Base-Base interactions energy: -193.892
where: short stacking energy: -89.648
Base-Backbone interact. energy: -0.698
local terms energy: -86.256513
where:
bonds (distance) C4'-P energy: -20.466
bonds (distance) P-C4' energy: -12.765
flat angles C4'-P-C4' energy: -16.404
flat angles P-C4'-P energy: -13.570
tors. eta vs tors. theta energy: -23.052
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 348
Temperature: 1.150000
Total energy: -247.750953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.750953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.750953 (E_RNA)
where:
Base-Base interactions energy: -169.102
where: short stacking energy: -74.720
Base-Backbone interact. energy: -0.416
local terms energy: -78.233165
where:
bonds (distance) C4'-P energy: -16.266
bonds (distance) P-C4' energy: -17.505
flat angles C4'-P-C4' energy: -17.244
flat angles P-C4'-P energy: -9.718
tors. eta vs tors. theta energy: -17.501
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 348
Temperature: 1.200000
Total energy: -228.581512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.581512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.581512 (E_RNA)
where:
Base-Base interactions energy: -147.150
where: short stacking energy: -65.608
Base-Backbone interact. energy: 0.069
local terms energy: -81.500510
where:
bonds (distance) C4'-P energy: -16.884
bonds (distance) P-C4' energy: -16.805
flat angles C4'-P-C4' energy: -18.520
flat angles P-C4'-P energy: -11.636
tors. eta vs tors. theta energy: -17.656
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 348
Temperature: 1.250000
Total energy: -218.901700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.901700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.901700 (E_RNA)
where:
Base-Base interactions energy: -143.862
where: short stacking energy: -65.095
Base-Backbone interact. energy: -0.641
local terms energy: -74.398274
where:
bonds (distance) C4'-P energy: -14.562
bonds (distance) P-C4' energy: -18.523
flat angles C4'-P-C4' energy: -22.374
flat angles P-C4'-P energy: -5.086
tors. eta vs tors. theta energy: -13.853
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 348
Temperature: 1.300000
Total energy: -192.849238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.849238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.849238 (E_RNA)
where:
Base-Base interactions energy: -110.063
where: short stacking energy: -52.442
Base-Backbone interact. energy: -0.421
local terms energy: -82.365272
where:
bonds (distance) C4'-P energy: -18.193
bonds (distance) P-C4' energy: -22.035
flat angles C4'-P-C4' energy: -20.595
flat angles P-C4'-P energy: -14.370
tors. eta vs tors. theta energy: -7.172
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 348
Temperature: 1.350000
Total energy: -100.960907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.960907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.960907 (E_RNA)
where:
Base-Base interactions energy: -36.951
where: short stacking energy: -28.955
Base-Backbone interact. energy: -0.261
local terms energy: -63.749342
where:
bonds (distance) C4'-P energy: -13.132
bonds (distance) P-C4' energy: -23.498
flat angles C4'-P-C4' energy: -13.247
flat angles P-C4'-P energy: -10.628
tors. eta vs tors. theta energy: -3.244
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 349
Temperature: 0.900000
Total energy: -346.422883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.422883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.422883 (E_RNA)
where:
Base-Base interactions energy: -244.441
where: short stacking energy: -99.346
Base-Backbone interact. energy: 0.926
local terms energy: -102.908031
where:
bonds (distance) C4'-P energy: -17.133
bonds (distance) P-C4' energy: -19.505
flat angles C4'-P-C4' energy: -22.271
flat angles P-C4'-P energy: -16.545
tors. eta vs tors. theta energy: -27.454
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 349
Temperature: 0.950000
Total energy: -331.986139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.986139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.986139 (E_RNA)
where:
Base-Base interactions energy: -234.457
where: short stacking energy: -95.001
Base-Backbone interact. energy: -1.502
local terms energy: -96.026964
where:
bonds (distance) C4'-P energy: -19.063
bonds (distance) P-C4' energy: -17.892
flat angles C4'-P-C4' energy: -22.266
flat angles P-C4'-P energy: -11.903
tors. eta vs tors. theta energy: -24.902
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 349
Temperature: 1.000000
Total energy: -327.732596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.732596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.732596 (E_RNA)
where:
Base-Base interactions energy: -222.834
where: short stacking energy: -96.746
Base-Backbone interact. energy: -1.486
local terms energy: -103.412158
where:
bonds (distance) C4'-P energy: -19.779
bonds (distance) P-C4' energy: -19.653
flat angles C4'-P-C4' energy: -23.417
flat angles P-C4'-P energy: -12.470
tors. eta vs tors. theta energy: -28.093
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 349
Temperature: 1.050000
Total energy: -288.814478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.814478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.814478 (E_RNA)
where:
Base-Base interactions energy: -191.761
where: short stacking energy: -74.869
Base-Backbone interact. energy: -0.938
local terms energy: -96.115971
where:
bonds (distance) C4'-P energy: -19.340
bonds (distance) P-C4' energy: -19.815
flat angles C4'-P-C4' energy: -18.798
flat angles P-C4'-P energy: -15.405
tors. eta vs tors. theta energy: -22.758
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 349
Temperature: 1.100000
Total energy: -260.340769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.340769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.340769 (E_RNA)
where:
Base-Base interactions energy: -168.810
where: short stacking energy: -69.346
Base-Backbone interact. energy: -0.190
local terms energy: -91.341027
where:
bonds (distance) C4'-P energy: -19.675
bonds (distance) P-C4' energy: -17.932
flat angles C4'-P-C4' energy: -19.834
flat angles P-C4'-P energy: -15.061
tors. eta vs tors. theta energy: -18.840
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 349
Temperature: 1.150000
Total energy: -241.846749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.846749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.846749 (E_RNA)
where:
Base-Base interactions energy: -158.159
where: short stacking energy: -79.145
Base-Backbone interact. energy: -0.453
local terms energy: -83.233877
where:
bonds (distance) C4'-P energy: -18.653
bonds (distance) P-C4' energy: -22.314
flat angles C4'-P-C4' energy: -12.788
flat angles P-C4'-P energy: -10.339
tors. eta vs tors. theta energy: -19.140
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 349
Temperature: 1.200000
Total energy: -244.592537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.592537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.592537 (E_RNA)
where:
Base-Base interactions energy: -178.603
where: short stacking energy: -71.283
Base-Backbone interact. energy: -0.004
local terms energy: -65.985468
where:
bonds (distance) C4'-P energy: -15.772
bonds (distance) P-C4' energy: -11.696
flat angles C4'-P-C4' energy: -12.133
flat angles P-C4'-P energy: -11.899
tors. eta vs tors. theta energy: -14.485
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 349
Temperature: 1.250000
Total energy: -216.261843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.261843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.261843 (E_RNA)
where:
Base-Base interactions energy: -139.555
where: short stacking energy: -77.576
Base-Backbone interact. energy: -0.852
local terms energy: -75.854758
where:
bonds (distance) C4'-P energy: -20.005
bonds (distance) P-C4' energy: -10.471
flat angles C4'-P-C4' energy: -17.611
flat angles P-C4'-P energy: -14.232
tors. eta vs tors. theta energy: -13.535
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 349
Temperature: 1.300000
Total energy: -178.029532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.029532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.029532 (E_RNA)
where:
Base-Base interactions energy: -105.847
where: short stacking energy: -57.640
Base-Backbone interact. energy: -0.283
local terms energy: -71.899365
where:
bonds (distance) C4'-P energy: -15.550
bonds (distance) P-C4' energy: -20.614
flat angles C4'-P-C4' energy: -16.769
flat angles P-C4'-P energy: -12.232
tors. eta vs tors. theta energy: -6.734
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 349
Temperature: 1.350000
Total energy: -101.785962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.785962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.785962 (E_RNA)
where:
Base-Base interactions energy: -42.209
where: short stacking energy: -25.653
Base-Backbone interact. energy: -0.539
local terms energy: -59.037525
where:
bonds (distance) C4'-P energy: -20.659
bonds (distance) P-C4' energy: -13.141
flat angles C4'-P-C4' energy: -17.583
flat angles P-C4'-P energy: -9.036
tors. eta vs tors. theta energy: 1.382
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 350
Temperature: 0.900000
Total energy: -346.470970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.470970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.470970 (E_RNA)
where:
Base-Base interactions energy: -241.565
where: short stacking energy: -94.763
Base-Backbone interact. energy: 0.632
local terms energy: -105.537682
where:
bonds (distance) C4'-P energy: -21.107
bonds (distance) P-C4' energy: -20.597
flat angles C4'-P-C4' energy: -22.030
flat angles P-C4'-P energy: -15.997
tors. eta vs tors. theta energy: -25.807
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 350
Temperature: 0.950000
Total energy: -341.939404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.939404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.939404 (E_RNA)
where:
Base-Base interactions energy: -241.788
where: short stacking energy: -100.076
Base-Backbone interact. energy: -0.091
local terms energy: -100.060310
where:
bonds (distance) C4'-P energy: -18.694
bonds (distance) P-C4' energy: -18.978
flat angles C4'-P-C4' energy: -21.425
flat angles P-C4'-P energy: -14.247
tors. eta vs tors. theta energy: -26.715
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 350
Temperature: 1.000000
Total energy: -314.911159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.911159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.911159 (E_RNA)
where:
Base-Base interactions energy: -220.173
where: short stacking energy: -91.533
Base-Backbone interact. energy: -1.196
local terms energy: -93.542303
where:
bonds (distance) C4'-P energy: -17.585
bonds (distance) P-C4' energy: -18.773
flat angles C4'-P-C4' energy: -19.859
flat angles P-C4'-P energy: -12.281
tors. eta vs tors. theta energy: -25.045
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 350
Temperature: 1.050000
Total energy: -289.657447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.657447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.657447 (E_RNA)
where:
Base-Base interactions energy: -204.238
where: short stacking energy: -89.051
Base-Backbone interact. energy: -0.355
local terms energy: -85.064429
where:
bonds (distance) C4'-P energy: -16.135
bonds (distance) P-C4' energy: -15.832
flat angles C4'-P-C4' energy: -19.498
flat angles P-C4'-P energy: -10.554
tors. eta vs tors. theta energy: -23.046
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 350
Temperature: 1.100000
Total energy: -243.169657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.169657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.169657 (E_RNA)
where:
Base-Base interactions energy: -161.208
where: short stacking energy: -73.469
Base-Backbone interact. energy: -0.153
local terms energy: -81.809356
where:
bonds (distance) C4'-P energy: -17.596
bonds (distance) P-C4' energy: -18.159
flat angles C4'-P-C4' energy: -16.498
flat angles P-C4'-P energy: -14.003
tors. eta vs tors. theta energy: -15.553
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 350
Temperature: 1.150000
Total energy: -240.701580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.701580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.701580 (E_RNA)
where:
Base-Base interactions energy: -164.910
where: short stacking energy: -61.122
Base-Backbone interact. energy: -0.889
local terms energy: -74.902792
where:
bonds (distance) C4'-P energy: -16.450
bonds (distance) P-C4' energy: -19.594
flat angles C4'-P-C4' energy: -17.192
flat angles P-C4'-P energy: -10.087
tors. eta vs tors. theta energy: -11.580
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 350
Temperature: 1.200000
Total energy: -212.727111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.727111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.727111 (E_RNA)
where:
Base-Base interactions energy: -141.631
where: short stacking energy: -63.788
Base-Backbone interact. energy: -0.094
local terms energy: -71.001784
where:
bonds (distance) C4'-P energy: -15.530
bonds (distance) P-C4' energy: -16.799
flat angles C4'-P-C4' energy: -15.682
flat angles P-C4'-P energy: -11.175
tors. eta vs tors. theta energy: -11.815
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 350
Temperature: 1.250000
Total energy: -214.545431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.545431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.545431 (E_RNA)
where:
Base-Base interactions energy: -143.795
where: short stacking energy: -71.258
Base-Backbone interact. energy: -0.159
local terms energy: -70.590881
where:
bonds (distance) C4'-P energy: -16.032
bonds (distance) P-C4' energy: -14.112
flat angles C4'-P-C4' energy: -19.021
flat angles P-C4'-P energy: -10.800
tors. eta vs tors. theta energy: -10.625
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 350
Temperature: 1.300000
Total energy: -156.923067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.923067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.923067 (E_RNA)
where:
Base-Base interactions energy: -86.224
where: short stacking energy: -42.229
Base-Backbone interact. energy: -0.272
local terms energy: -70.427795
where:
bonds (distance) C4'-P energy: -18.017
bonds (distance) P-C4' energy: -17.366
flat angles C4'-P-C4' energy: -13.322
flat angles P-C4'-P energy: -15.806
tors. eta vs tors. theta energy: -5.917
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 350
Temperature: 1.350000
Total energy: -108.371772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.371772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.371772 (E_RNA)
where:
Base-Base interactions energy: -37.921
where: short stacking energy: -35.084
Base-Backbone interact. energy: -0.164
local terms energy: -70.286583
where:
bonds (distance) C4'-P energy: -22.315
bonds (distance) P-C4' energy: -22.363
flat angles C4'-P-C4' energy: -6.493
flat angles P-C4'-P energy: -13.929
tors. eta vs tors. theta energy: -5.187
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 351
Temperature: 0.900000
Total energy: -349.269844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.269844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.269844 (E_RNA)
where:
Base-Base interactions energy: -241.982
where: short stacking energy: -98.447
Base-Backbone interact. energy: 1.265
local terms energy: -108.552825
where:
bonds (distance) C4'-P energy: -20.011
bonds (distance) P-C4' energy: -23.995
flat angles C4'-P-C4' energy: -20.629
flat angles P-C4'-P energy: -16.332
tors. eta vs tors. theta energy: -27.587
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 351
Temperature: 0.950000
Total energy: -322.470346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.470346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.470346 (E_RNA)
where:
Base-Base interactions energy: -221.343
where: short stacking energy: -89.559
Base-Backbone interact. energy: -1.351
local terms energy: -99.776745
where:
bonds (distance) C4'-P energy: -19.302
bonds (distance) P-C4' energy: -19.982
flat angles C4'-P-C4' energy: -20.464
flat angles P-C4'-P energy: -14.190
tors. eta vs tors. theta energy: -25.838
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 351
Temperature: 1.000000
Total energy: -335.765015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.765015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.765015 (E_RNA)
where:
Base-Base interactions energy: -235.843
where: short stacking energy: -98.636
Base-Backbone interact. energy: -0.545
local terms energy: -99.376407
where:
bonds (distance) C4'-P energy: -17.291
bonds (distance) P-C4' energy: -16.559
flat angles C4'-P-C4' energy: -20.494
flat angles P-C4'-P energy: -19.331
tors. eta vs tors. theta energy: -25.701
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 351
Temperature: 1.050000
Total energy: -293.243880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.243880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.243880 (E_RNA)
where:
Base-Base interactions energy: -201.581
where: short stacking energy: -81.405
Base-Backbone interact. energy: -1.387
local terms energy: -90.276140
where:
bonds (distance) C4'-P energy: -19.807
bonds (distance) P-C4' energy: -20.185
flat angles C4'-P-C4' energy: -20.582
flat angles P-C4'-P energy: -8.910
tors. eta vs tors. theta energy: -20.792
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 351
Temperature: 1.100000
Total energy: -255.904983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.904983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.904983 (E_RNA)
where:
Base-Base interactions energy: -161.071
where: short stacking energy: -75.225
Base-Backbone interact. energy: -0.489
local terms energy: -94.344428
where:
bonds (distance) C4'-P energy: -16.130
bonds (distance) P-C4' energy: -24.016
flat angles C4'-P-C4' energy: -22.302
flat angles P-C4'-P energy: -13.965
tors. eta vs tors. theta energy: -17.931
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 351
Temperature: 1.150000
Total energy: -235.119718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.119718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.119718 (E_RNA)
where:
Base-Base interactions energy: -161.591
where: short stacking energy: -83.119
Base-Backbone interact. energy: -0.495
local terms energy: -73.033075
where:
bonds (distance) C4'-P energy: -15.659
bonds (distance) P-C4' energy: -11.716
flat angles C4'-P-C4' energy: -16.246
flat angles P-C4'-P energy: -9.572
tors. eta vs tors. theta energy: -19.841
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 351
Temperature: 1.200000
Total energy: -232.450774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.450774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.450774 (E_RNA)
where:
Base-Base interactions energy: -153.776
where: short stacking energy: -69.596
Base-Backbone interact. energy: -0.726
local terms energy: -77.949084
where:
bonds (distance) C4'-P energy: -18.356
bonds (distance) P-C4' energy: -16.385
flat angles C4'-P-C4' energy: -17.395
flat angles P-C4'-P energy: -9.592
tors. eta vs tors. theta energy: -16.221
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 351
Temperature: 1.250000
Total energy: -211.176036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.176036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.176036 (E_RNA)
where:
Base-Base interactions energy: -137.881
where: short stacking energy: -60.518
Base-Backbone interact. energy: -0.036
local terms energy: -73.259096
where:
bonds (distance) C4'-P energy: -15.350
bonds (distance) P-C4' energy: -17.790
flat angles C4'-P-C4' energy: -16.868
flat angles P-C4'-P energy: -12.814
tors. eta vs tors. theta energy: -10.436
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 351
Temperature: 1.300000
Total energy: -192.552912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.552912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.552912 (E_RNA)
where:
Base-Base interactions energy: -116.774
where: short stacking energy: -56.752
Base-Backbone interact. energy: -0.130
local terms energy: -75.648931
where:
bonds (distance) C4'-P energy: -16.313
bonds (distance) P-C4' energy: -19.440
flat angles C4'-P-C4' energy: -19.959
flat angles P-C4'-P energy: -4.001
tors. eta vs tors. theta energy: -15.935
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 351
Temperature: 1.350000
Total energy: -117.197264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.197264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.197264 (E_RNA)
where:
Base-Base interactions energy: -62.487
where: short stacking energy: -35.741
Base-Backbone interact. energy: -0.318
local terms energy: -54.391774
where:
bonds (distance) C4'-P energy: -14.805
bonds (distance) P-C4' energy: -21.039
flat angles C4'-P-C4' energy: -17.725
flat angles P-C4'-P energy: -3.085
tors. eta vs tors. theta energy: 2.262
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 352
Temperature: 0.900000
Total energy: -331.758557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.758557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.758557 (E_RNA)
where:
Base-Base interactions energy: -224.518
where: short stacking energy: -96.687
Base-Backbone interact. energy: -1.375
local terms energy: -105.865388
where:
bonds (distance) C4'-P energy: -22.249
bonds (distance) P-C4' energy: -20.332
flat angles C4'-P-C4' energy: -22.573
flat angles P-C4'-P energy: -16.268
tors. eta vs tors. theta energy: -24.444
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 352
Temperature: 0.950000
Total energy: -348.542078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.542078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.542078 (E_RNA)
where:
Base-Base interactions energy: -246.808
where: short stacking energy: -99.869
Base-Backbone interact. energy: 2.974
local terms energy: -104.708055
where:
bonds (distance) C4'-P energy: -23.644
bonds (distance) P-C4' energy: -17.574
flat angles C4'-P-C4' energy: -19.538
flat angles P-C4'-P energy: -15.612
tors. eta vs tors. theta energy: -28.339
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 352
Temperature: 1.000000
Total energy: -323.474372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.474372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.474372 (E_RNA)
where:
Base-Base interactions energy: -232.560
where: short stacking energy: -82.900
Base-Backbone interact. energy: -0.434
local terms energy: -90.480402
where:
bonds (distance) C4'-P energy: -14.769
bonds (distance) P-C4' energy: -19.821
flat angles C4'-P-C4' energy: -21.226
flat angles P-C4'-P energy: -12.069
tors. eta vs tors. theta energy: -22.596
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 352
Temperature: 1.050000
Total energy: -283.990646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.990646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.990646 (E_RNA)
where:
Base-Base interactions energy: -191.742
where: short stacking energy: -83.520
Base-Backbone interact. energy: -1.527
local terms energy: -90.721453
where:
bonds (distance) C4'-P energy: -13.149
bonds (distance) P-C4' energy: -19.163
flat angles C4'-P-C4' energy: -18.103
flat angles P-C4'-P energy: -18.145
tors. eta vs tors. theta energy: -22.163
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 352
Temperature: 1.100000
Total energy: -252.667845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.667845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.667845 (E_RNA)
where:
Base-Base interactions energy: -175.917
where: short stacking energy: -72.516
Base-Backbone interact. energy: -0.694
local terms energy: -76.057209
where:
bonds (distance) C4'-P energy: -15.952
bonds (distance) P-C4' energy: -16.856
flat angles C4'-P-C4' energy: -14.941
flat angles P-C4'-P energy: -6.919
tors. eta vs tors. theta energy: -21.390
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 352
Temperature: 1.150000
Total energy: -265.127203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.127203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.127203 (E_RNA)
where:
Base-Base interactions energy: -173.999
where: short stacking energy: -82.466
Base-Backbone interact. energy: -0.206
local terms energy: -90.922211
where:
bonds (distance) C4'-P energy: -20.929
bonds (distance) P-C4' energy: -15.860
flat angles C4'-P-C4' energy: -20.626
flat angles P-C4'-P energy: -15.002
tors. eta vs tors. theta energy: -18.505
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 352
Temperature: 1.200000
Total energy: -239.806087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.806087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.806087 (E_RNA)
where:
Base-Base interactions energy: -153.974
where: short stacking energy: -83.435
Base-Backbone interact. energy: -0.157
local terms energy: -85.675647
where:
bonds (distance) C4'-P energy: -15.647
bonds (distance) P-C4' energy: -18.096
flat angles C4'-P-C4' energy: -18.677
flat angles P-C4'-P energy: -15.166
tors. eta vs tors. theta energy: -18.090
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 352
Temperature: 1.250000
Total energy: -226.692417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.692417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.692417 (E_RNA)
where:
Base-Base interactions energy: -148.474
where: short stacking energy: -71.359
Base-Backbone interact. energy: -0.162
local terms energy: -78.056063
where:
bonds (distance) C4'-P energy: -13.924
bonds (distance) P-C4' energy: -22.085
flat angles C4'-P-C4' energy: -12.914
flat angles P-C4'-P energy: -11.233
tors. eta vs tors. theta energy: -17.901
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 352
Temperature: 1.300000
Total energy: -201.036910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.036910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.036910 (E_RNA)
where:
Base-Base interactions energy: -119.710
where: short stacking energy: -61.150
Base-Backbone interact. energy: 0.222
local terms energy: -81.548553
where:
bonds (distance) C4'-P energy: -16.774
bonds (distance) P-C4' energy: -16.508
flat angles C4'-P-C4' energy: -19.637
flat angles P-C4'-P energy: -13.254
tors. eta vs tors. theta energy: -15.376
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 352
Temperature: 1.350000
Total energy: -109.550986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.550986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.550986 (E_RNA)
where:
Base-Base interactions energy: -56.120
where: short stacking energy: -43.650
Base-Backbone interact. energy: -0.826
local terms energy: -52.604579
where:
bonds (distance) C4'-P energy: -10.617
bonds (distance) P-C4' energy: -17.210
flat angles C4'-P-C4' energy: -13.587
flat angles P-C4'-P energy: -10.460
tors. eta vs tors. theta energy: -0.730
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 353
Temperature: 0.900000
Total energy: -333.494240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.494240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.494240 (E_RNA)
where:
Base-Base interactions energy: -240.757
where: short stacking energy: -82.534
Base-Backbone interact. energy: -0.847
local terms energy: -91.890728
where:
bonds (distance) C4'-P energy: -21.319
bonds (distance) P-C4' energy: -18.599
flat angles C4'-P-C4' energy: -18.378
flat angles P-C4'-P energy: -12.503
tors. eta vs tors. theta energy: -21.091
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 353
Temperature: 0.950000
Total energy: -341.258562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.258562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.258562 (E_RNA)
where:
Base-Base interactions energy: -239.083
where: short stacking energy: -98.232
Base-Backbone interact. energy: 0.166
local terms energy: -102.341733
where:
bonds (distance) C4'-P energy: -18.493
bonds (distance) P-C4' energy: -19.761
flat angles C4'-P-C4' energy: -23.231
flat angles P-C4'-P energy: -15.225
tors. eta vs tors. theta energy: -25.631
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 353
Temperature: 1.000000
Total energy: -321.577011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.577011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.577011 (E_RNA)
where:
Base-Base interactions energy: -221.908
where: short stacking energy: -83.700
Base-Backbone interact. energy: -0.311
local terms energy: -99.358183
where:
bonds (distance) C4'-P energy: -20.346
bonds (distance) P-C4' energy: -18.707
flat angles C4'-P-C4' energy: -21.206
flat angles P-C4'-P energy: -15.543
tors. eta vs tors. theta energy: -23.557
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 353
Temperature: 1.050000
Total energy: -283.509496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.509496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.509496 (E_RNA)
where:
Base-Base interactions energy: -193.394
where: short stacking energy: -87.718
Base-Backbone interact. energy: -0.262
local terms energy: -89.853657
where:
bonds (distance) C4'-P energy: -12.735
bonds (distance) P-C4' energy: -20.546
flat angles C4'-P-C4' energy: -21.454
flat angles P-C4'-P energy: -10.915
tors. eta vs tors. theta energy: -24.204
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 353
Temperature: 1.100000
Total energy: -250.238230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.238230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.238230 (E_RNA)
where:
Base-Base interactions energy: -165.550
where: short stacking energy: -78.776
Base-Backbone interact. energy: -0.731
local terms energy: -83.957476
where:
bonds (distance) C4'-P energy: -18.751
bonds (distance) P-C4' energy: -12.819
flat angles C4'-P-C4' energy: -19.693
flat angles P-C4'-P energy: -13.218
tors. eta vs tors. theta energy: -19.476
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 353
Temperature: 1.150000
Total energy: -239.703533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.703533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.703533 (E_RNA)
where:
Base-Base interactions energy: -156.049
where: short stacking energy: -79.288
Base-Backbone interact. energy: -0.067
local terms energy: -83.588396
where:
bonds (distance) C4'-P energy: -14.592
bonds (distance) P-C4' energy: -17.747
flat angles C4'-P-C4' energy: -20.219
flat angles P-C4'-P energy: -11.701
tors. eta vs tors. theta energy: -19.330
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 353
Temperature: 1.200000
Total energy: -219.508266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.508266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.508266 (E_RNA)
where:
Base-Base interactions energy: -138.416
where: short stacking energy: -60.521
Base-Backbone interact. energy: 0.407
local terms energy: -81.499295
where:
bonds (distance) C4'-P energy: -14.558
bonds (distance) P-C4' energy: -19.774
flat angles C4'-P-C4' energy: -20.055
flat angles P-C4'-P energy: -10.805
tors. eta vs tors. theta energy: -16.307
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 353
Temperature: 1.250000
Total energy: -221.841893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.841893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.841893 (E_RNA)
where:
Base-Base interactions energy: -142.124
where: short stacking energy: -72.881
Base-Backbone interact. energy: -0.639
local terms energy: -79.079247
where:
bonds (distance) C4'-P energy: -15.842
bonds (distance) P-C4' energy: -16.150
flat angles C4'-P-C4' energy: -15.369
flat angles P-C4'-P energy: -13.674
tors. eta vs tors. theta energy: -18.044
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 353
Temperature: 1.300000
Total energy: -205.778660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.778660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.778660 (E_RNA)
where:
Base-Base interactions energy: -131.461
where: short stacking energy: -61.530
Base-Backbone interact. energy: -0.164
local terms energy: -74.154003
where:
bonds (distance) C4'-P energy: -8.118
bonds (distance) P-C4' energy: -16.914
flat angles C4'-P-C4' energy: -18.742
flat angles P-C4'-P energy: -13.906
tors. eta vs tors. theta energy: -16.475
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 353
Temperature: 1.350000
Total energy: -107.514265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.514265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.514265 (E_RNA)
where:
Base-Base interactions energy: -48.328
where: short stacking energy: -47.842
Base-Backbone interact. energy: -0.184
local terms energy: -59.002465
where:
bonds (distance) C4'-P energy: -4.873
bonds (distance) P-C4' energy: -16.353
flat angles C4'-P-C4' energy: -19.452
flat angles P-C4'-P energy: -7.535
tors. eta vs tors. theta energy: -10.789
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 354
Temperature: 0.900000
Total energy: -343.282229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.282229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.282229 (E_RNA)
where:
Base-Base interactions energy: -244.287
where: short stacking energy: -100.785
Base-Backbone interact. energy: 0.493
local terms energy: -99.487471
where:
bonds (distance) C4'-P energy: -20.424
bonds (distance) P-C4' energy: -18.490
flat angles C4'-P-C4' energy: -18.799
flat angles P-C4'-P energy: -14.482
tors. eta vs tors. theta energy: -27.293
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 354
Temperature: 0.950000
Total energy: -317.899512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.899512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.899512 (E_RNA)
where:
Base-Base interactions energy: -225.588
where: short stacking energy: -81.270
Base-Backbone interact. energy: -0.658
local terms energy: -91.653465
where:
bonds (distance) C4'-P energy: -18.172
bonds (distance) P-C4' energy: -18.796
flat angles C4'-P-C4' energy: -18.800
flat angles P-C4'-P energy: -13.052
tors. eta vs tors. theta energy: -22.833
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 354
Temperature: 1.000000
Total energy: -322.894726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.894726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.894726 (E_RNA)
where:
Base-Base interactions energy: -228.654
where: short stacking energy: -94.758
Base-Backbone interact. energy: -0.070
local terms energy: -94.170784
where:
bonds (distance) C4'-P energy: -17.380
bonds (distance) P-C4' energy: -18.797
flat angles C4'-P-C4' energy: -17.475
flat angles P-C4'-P energy: -14.664
tors. eta vs tors. theta energy: -25.855
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 354
Temperature: 1.050000
Total energy: -274.024229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.024229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.024229 (E_RNA)
where:
Base-Base interactions energy: -182.156
where: short stacking energy: -87.356
Base-Backbone interact. energy: 0.772
local terms energy: -92.639606
where:
bonds (distance) C4'-P energy: -18.226
bonds (distance) P-C4' energy: -21.575
flat angles C4'-P-C4' energy: -20.127
flat angles P-C4'-P energy: -9.230
tors. eta vs tors. theta energy: -23.482
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 354
Temperature: 1.100000
Total energy: -250.111407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.111407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.111407 (E_RNA)
where:
Base-Base interactions energy: -162.315
where: short stacking energy: -73.565
Base-Backbone interact. energy: 2.988
local terms energy: -90.784277
where:
bonds (distance) C4'-P energy: -18.929
bonds (distance) P-C4' energy: -18.722
flat angles C4'-P-C4' energy: -21.843
flat angles P-C4'-P energy: -15.848
tors. eta vs tors. theta energy: -15.442
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 354
Temperature: 1.150000
Total energy: -240.322383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.322383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.322383 (E_RNA)
where:
Base-Base interactions energy: -160.546
where: short stacking energy: -70.813
Base-Backbone interact. energy: -0.107
local terms energy: -79.669624
where:
bonds (distance) C4'-P energy: -16.889
bonds (distance) P-C4' energy: -15.193
flat angles C4'-P-C4' energy: -20.846
flat angles P-C4'-P energy: -10.816
tors. eta vs tors. theta energy: -15.926
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 354
Temperature: 1.200000
Total energy: -221.366584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.366584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.366584 (E_RNA)
where:
Base-Base interactions energy: -141.216
where: short stacking energy: -69.472
Base-Backbone interact. energy: -0.012
local terms energy: -80.138240
where:
bonds (distance) C4'-P energy: -15.526
bonds (distance) P-C4' energy: -20.228
flat angles C4'-P-C4' energy: -13.121
flat angles P-C4'-P energy: -16.392
tors. eta vs tors. theta energy: -14.872
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 354
Temperature: 1.250000
Total energy: -221.919316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.919316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.919316 (E_RNA)
where:
Base-Base interactions energy: -148.015
where: short stacking energy: -57.741
Base-Backbone interact. energy: -0.192
local terms energy: -73.712583
where:
bonds (distance) C4'-P energy: -14.652
bonds (distance) P-C4' energy: -19.468
flat angles C4'-P-C4' energy: -16.335
flat angles P-C4'-P energy: -10.359
tors. eta vs tors. theta energy: -12.898
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 354
Temperature: 1.300000
Total energy: -204.934142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.934142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.934142 (E_RNA)
where:
Base-Base interactions energy: -129.636
where: short stacking energy: -60.450
Base-Backbone interact. energy: -0.841
local terms energy: -74.457364
where:
bonds (distance) C4'-P energy: -16.976
bonds (distance) P-C4' energy: -14.726
flat angles C4'-P-C4' energy: -18.353
flat angles P-C4'-P energy: -11.685
tors. eta vs tors. theta energy: -12.718
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 354
Temperature: 1.350000
Total energy: -114.446673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.446673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.446673 (E_RNA)
where:
Base-Base interactions energy: -41.951
where: short stacking energy: -41.933
Base-Backbone interact. energy: 1.300
local terms energy: -73.795869
where:
bonds (distance) C4'-P energy: -18.685
bonds (distance) P-C4' energy: -21.289
flat angles C4'-P-C4' energy: -12.571
flat angles P-C4'-P energy: -12.868
tors. eta vs tors. theta energy: -8.382
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 355
Temperature: 0.900000
Total energy: -351.915611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.915611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.915611 (E_RNA)
where:
Base-Base interactions energy: -252.520
where: short stacking energy: -105.585
Base-Backbone interact. energy: 1.611
local terms energy: -101.006631
where:
bonds (distance) C4'-P energy: -18.664
bonds (distance) P-C4' energy: -18.658
flat angles C4'-P-C4' energy: -22.977
flat angles P-C4'-P energy: -15.236
tors. eta vs tors. theta energy: -25.472
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 355
Temperature: 0.950000
Total energy: -338.841031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.841031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.841031 (E_RNA)
where:
Base-Base interactions energy: -240.713
where: short stacking energy: -89.610
Base-Backbone interact. energy: 0.780
local terms energy: -98.907331
where:
bonds (distance) C4'-P energy: -20.118
bonds (distance) P-C4' energy: -20.537
flat angles C4'-P-C4' energy: -23.125
flat angles P-C4'-P energy: -15.322
tors. eta vs tors. theta energy: -19.805
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 355
Temperature: 1.000000
Total energy: -316.025534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.025534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.025534 (E_RNA)
where:
Base-Base interactions energy: -215.192
where: short stacking energy: -79.951
Base-Backbone interact. energy: -0.489
local terms energy: -100.343959
where:
bonds (distance) C4'-P energy: -22.017
bonds (distance) P-C4' energy: -19.922
flat angles C4'-P-C4' energy: -23.179
flat angles P-C4'-P energy: -14.007
tors. eta vs tors. theta energy: -21.219
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 355
Temperature: 1.050000
Total energy: -254.411863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.411863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.411863 (E_RNA)
where:
Base-Base interactions energy: -172.174
where: short stacking energy: -84.106
Base-Backbone interact. energy: -1.248
local terms energy: -80.989880
where:
bonds (distance) C4'-P energy: -18.245
bonds (distance) P-C4' energy: -20.993
flat angles C4'-P-C4' energy: -18.381
flat angles P-C4'-P energy: -10.459
tors. eta vs tors. theta energy: -12.912
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 355
Temperature: 1.100000
Total energy: -277.665242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.665242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.665242 (E_RNA)
where:
Base-Base interactions energy: -187.570
where: short stacking energy: -80.966
Base-Backbone interact. energy: -0.518
local terms energy: -89.577662
where:
bonds (distance) C4'-P energy: -19.903
bonds (distance) P-C4' energy: -14.214
flat angles C4'-P-C4' energy: -19.986
flat angles P-C4'-P energy: -14.988
tors. eta vs tors. theta energy: -20.487
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 355
Temperature: 1.150000
Total energy: -236.344613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.344613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.344613 (E_RNA)
where:
Base-Base interactions energy: -158.308
where: short stacking energy: -75.086
Base-Backbone interact. energy: -1.004
local terms energy: -77.033363
where:
bonds (distance) C4'-P energy: -20.841
bonds (distance) P-C4' energy: -17.952
flat angles C4'-P-C4' energy: -17.858
flat angles P-C4'-P energy: -9.731
tors. eta vs tors. theta energy: -10.651
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 355
Temperature: 1.200000
Total energy: -222.580086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.580086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.580086 (E_RNA)
where:
Base-Base interactions energy: -138.751
where: short stacking energy: -68.157
Base-Backbone interact. energy: -0.170
local terms energy: -83.659735
where:
bonds (distance) C4'-P energy: -19.534
bonds (distance) P-C4' energy: -19.847
flat angles C4'-P-C4' energy: -14.530
flat angles P-C4'-P energy: -9.245
tors. eta vs tors. theta energy: -20.503
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 355
Temperature: 1.250000
Total energy: -218.012186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.012186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.012186 (E_RNA)
where:
Base-Base interactions energy: -133.121
where: short stacking energy: -58.831
Base-Backbone interact. energy: -0.292
local terms energy: -84.598879
where:
bonds (distance) C4'-P energy: -17.769
bonds (distance) P-C4' energy: -18.892
flat angles C4'-P-C4' energy: -19.206
flat angles P-C4'-P energy: -11.819
tors. eta vs tors. theta energy: -16.913
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 355
Temperature: 1.300000
Total energy: -171.217713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.217713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.217713 (E_RNA)
where:
Base-Base interactions energy: -108.236
where: short stacking energy: -48.009
Base-Backbone interact. energy: -0.581
local terms energy: -62.400372
where:
bonds (distance) C4'-P energy: -13.976
bonds (distance) P-C4' energy: -12.868
flat angles C4'-P-C4' energy: -19.970
flat angles P-C4'-P energy: -5.512
tors. eta vs tors. theta energy: -10.074
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 355
Temperature: 1.350000
Total energy: -97.144365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.144365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.144365 (E_RNA)
where:
Base-Base interactions energy: -34.776
where: short stacking energy: -23.013
Base-Backbone interact. energy: -0.132
local terms energy: -62.236420
where:
bonds (distance) C4'-P energy: -17.099
bonds (distance) P-C4' energy: -19.314
flat angles C4'-P-C4' energy: -15.508
flat angles P-C4'-P energy: -6.325
tors. eta vs tors. theta energy: -3.990
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 356
Temperature: 0.900000
Total energy: -335.569637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.569637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.569637 (E_RNA)
where:
Base-Base interactions energy: -240.434
where: short stacking energy: -99.178
Base-Backbone interact. energy: -0.159
local terms energy: -94.976820
where:
bonds (distance) C4'-P energy: -15.289
bonds (distance) P-C4' energy: -22.628
flat angles C4'-P-C4' energy: -17.798
flat angles P-C4'-P energy: -15.800
tors. eta vs tors. theta energy: -23.462
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 356
Temperature: 0.950000
Total energy: -353.026374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.026374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.026374 (E_RNA)
where:
Base-Base interactions energy: -246.588
where: short stacking energy: -98.519
Base-Backbone interact. energy: -1.611
local terms energy: -104.827414
where:
bonds (distance) C4'-P energy: -18.573
bonds (distance) P-C4' energy: -22.342
flat angles C4'-P-C4' energy: -22.021
flat angles P-C4'-P energy: -15.618
tors. eta vs tors. theta energy: -26.274
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 356
Temperature: 1.000000
Total energy: -319.779222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.779222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.779222 (E_RNA)
where:
Base-Base interactions energy: -221.105
where: short stacking energy: -90.897
Base-Backbone interact. energy: -1.233
local terms energy: -97.441231
where:
bonds (distance) C4'-P energy: -19.828
bonds (distance) P-C4' energy: -20.669
flat angles C4'-P-C4' energy: -19.659
flat angles P-C4'-P energy: -11.118
tors. eta vs tors. theta energy: -26.168
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 356
Temperature: 1.050000
Total energy: -266.098315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.098315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.098315 (E_RNA)
where:
Base-Base interactions energy: -166.902
where: short stacking energy: -82.232
Base-Backbone interact. energy: -0.790
local terms energy: -98.406560
where:
bonds (distance) C4'-P energy: -19.832
bonds (distance) P-C4' energy: -21.828
flat angles C4'-P-C4' energy: -22.825
flat angles P-C4'-P energy: -17.203
tors. eta vs tors. theta energy: -16.719
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 356
Temperature: 1.100000
Total energy: -289.031473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.031473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.031473 (E_RNA)
where:
Base-Base interactions energy: -197.488
where: short stacking energy: -83.794
Base-Backbone interact. energy: 0.826
local terms energy: -92.369394
where:
bonds (distance) C4'-P energy: -19.525
bonds (distance) P-C4' energy: -20.887
flat angles C4'-P-C4' energy: -20.179
flat angles P-C4'-P energy: -9.707
tors. eta vs tors. theta energy: -22.072
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 356
Temperature: 1.150000
Total energy: -229.472417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.472417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.472417 (E_RNA)
where:
Base-Base interactions energy: -144.434
where: short stacking energy: -69.354
Base-Backbone interact. energy: -0.019
local terms energy: -85.019483
where:
bonds (distance) C4'-P energy: -15.553
bonds (distance) P-C4' energy: -22.806
flat angles C4'-P-C4' energy: -17.320
flat angles P-C4'-P energy: -12.097
tors. eta vs tors. theta energy: -17.244
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 356
Temperature: 1.200000
Total energy: -238.979523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.979523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.979523 (E_RNA)
where:
Base-Base interactions energy: -156.715
where: short stacking energy: -68.318
Base-Backbone interact. energy: -0.684
local terms energy: -81.580398
where:
bonds (distance) C4'-P energy: -19.356
bonds (distance) P-C4' energy: -17.282
flat angles C4'-P-C4' energy: -19.345
flat angles P-C4'-P energy: -12.189
tors. eta vs tors. theta energy: -13.408
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 356
Temperature: 1.250000
Total energy: -200.537427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.537427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.537427 (E_RNA)
where:
Base-Base interactions energy: -115.875
where: short stacking energy: -54.494
Base-Backbone interact. energy: -1.090
local terms energy: -83.571939
where:
bonds (distance) C4'-P energy: -20.854
bonds (distance) P-C4' energy: -21.678
flat angles C4'-P-C4' energy: -17.898
flat angles P-C4'-P energy: -16.395
tors. eta vs tors. theta energy: -6.747
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 356
Temperature: 1.300000
Total energy: -153.055117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.055117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.055117 (E_RNA)
where:
Base-Base interactions energy: -86.489
where: short stacking energy: -37.116
Base-Backbone interact. energy: -0.236
local terms energy: -66.329533
where:
bonds (distance) C4'-P energy: -13.606
bonds (distance) P-C4' energy: -16.079
flat angles C4'-P-C4' energy: -18.206
flat angles P-C4'-P energy: -13.063
tors. eta vs tors. theta energy: -5.375
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 356
Temperature: 1.350000
Total energy: -102.314811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.314811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.314811 (E_RNA)
where:
Base-Base interactions energy: -38.464
where: short stacking energy: -38.464
Base-Backbone interact. energy: -0.191
local terms energy: -63.660037
where:
bonds (distance) C4'-P energy: -13.229
bonds (distance) P-C4' energy: -16.367
flat angles C4'-P-C4' energy: -14.714
flat angles P-C4'-P energy: -10.702
tors. eta vs tors. theta energy: -8.648
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 357
Temperature: 0.900000
Total energy: -336.727464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.727464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.727464 (E_RNA)
where:
Base-Base interactions energy: -241.982
where: short stacking energy: -92.820
Base-Backbone interact. energy: -1.122
local terms energy: -93.622891
where:
bonds (distance) C4'-P energy: -17.266
bonds (distance) P-C4' energy: -20.569
flat angles C4'-P-C4' energy: -20.179
flat angles P-C4'-P energy: -16.321
tors. eta vs tors. theta energy: -19.288
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 357
Temperature: 0.950000
Total energy: -352.821128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.821128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.821128 (E_RNA)
where:
Base-Base interactions energy: -257.646
where: short stacking energy: -101.185
Base-Backbone interact. energy: 1.351
local terms energy: -96.525544
where:
bonds (distance) C4'-P energy: -17.037
bonds (distance) P-C4' energy: -18.993
flat angles C4'-P-C4' energy: -19.924
flat angles P-C4'-P energy: -15.656
tors. eta vs tors. theta energy: -24.915
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 357
Temperature: 1.000000
Total energy: -311.477173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.477173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.477173 (E_RNA)
where:
Base-Base interactions energy: -218.416
where: short stacking energy: -95.773
Base-Backbone interact. energy: -0.391
local terms energy: -92.670219
where:
bonds (distance) C4'-P energy: -19.534
bonds (distance) P-C4' energy: -16.360
flat angles C4'-P-C4' energy: -21.741
flat angles P-C4'-P energy: -11.355
tors. eta vs tors. theta energy: -23.681
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 357
Temperature: 1.050000
Total energy: -289.132926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.132926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.132926 (E_RNA)
where:
Base-Base interactions energy: -198.774
where: short stacking energy: -90.492
Base-Backbone interact. energy: 0.137
local terms energy: -90.495673
where:
bonds (distance) C4'-P energy: -21.239
bonds (distance) P-C4' energy: -16.052
flat angles C4'-P-C4' energy: -19.742
flat angles P-C4'-P energy: -11.582
tors. eta vs tors. theta energy: -21.880
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 357
Temperature: 1.100000
Total energy: -247.468830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.468830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.468830 (E_RNA)
where:
Base-Base interactions energy: -161.569
where: short stacking energy: -79.006
Base-Backbone interact. energy: 1.068
local terms energy: -86.967622
where:
bonds (distance) C4'-P energy: -13.636
bonds (distance) P-C4' energy: -18.815
flat angles C4'-P-C4' energy: -21.937
flat angles P-C4'-P energy: -15.556
tors. eta vs tors. theta energy: -17.023
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 357
Temperature: 1.150000
Total energy: -241.606408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.606408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.606408 (E_RNA)
where:
Base-Base interactions energy: -161.035
where: short stacking energy: -71.726
Base-Backbone interact. energy: -0.445
local terms energy: -80.126248
where:
bonds (distance) C4'-P energy: -15.559
bonds (distance) P-C4' energy: -18.094
flat angles C4'-P-C4' energy: -17.037
flat angles P-C4'-P energy: -8.986
tors. eta vs tors. theta energy: -20.450
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 357
Temperature: 1.200000
Total energy: -232.757889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.757889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.757889 (E_RNA)
where:
Base-Base interactions energy: -156.055
where: short stacking energy: -85.781
Base-Backbone interact. energy: -0.146
local terms energy: -76.556639
where:
bonds (distance) C4'-P energy: -16.761
bonds (distance) P-C4' energy: -13.534
flat angles C4'-P-C4' energy: -21.382
flat angles P-C4'-P energy: -7.871
tors. eta vs tors. theta energy: -17.009
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 357
Temperature: 1.250000
Total energy: -217.059518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.059518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.059518 (E_RNA)
where:
Base-Base interactions energy: -132.020
where: short stacking energy: -60.398
Base-Backbone interact. energy: -0.889
local terms energy: -84.150494
where:
bonds (distance) C4'-P energy: -19.828
bonds (distance) P-C4' energy: -18.597
flat angles C4'-P-C4' energy: -22.942
flat angles P-C4'-P energy: -11.106
tors. eta vs tors. theta energy: -11.677
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 357
Temperature: 1.300000
Total energy: -165.727357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.727357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.727357 (E_RNA)
where:
Base-Base interactions energy: -94.205
where: short stacking energy: -51.514
Base-Backbone interact. energy: 1.757
local terms energy: -73.279832
where:
bonds (distance) C4'-P energy: -21.984
bonds (distance) P-C4' energy: -19.128
flat angles C4'-P-C4' energy: -17.443
flat angles P-C4'-P energy: -3.550
tors. eta vs tors. theta energy: -11.174
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 357
Temperature: 1.350000
Total energy: -100.668344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.668344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.668344 (E_RNA)
where:
Base-Base interactions energy: -38.871
where: short stacking energy: -38.871
Base-Backbone interact. energy: -0.068
local terms energy: -61.729916
where:
bonds (distance) C4'-P energy: -13.428
bonds (distance) P-C4' energy: -23.251
flat angles C4'-P-C4' energy: -9.448
flat angles P-C4'-P energy: -11.667
tors. eta vs tors. theta energy: -3.935
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 358
Temperature: 0.900000
Total energy: -353.587462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.587462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.587462 (E_RNA)
where:
Base-Base interactions energy: -250.145
where: short stacking energy: -99.104
Base-Backbone interact. energy: -0.584
local terms energy: -102.858241
where:
bonds (distance) C4'-P energy: -21.938
bonds (distance) P-C4' energy: -16.913
flat angles C4'-P-C4' energy: -22.374
flat angles P-C4'-P energy: -14.419
tors. eta vs tors. theta energy: -27.213
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 358
Temperature: 0.950000
Total energy: -330.773226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.773226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.773226 (E_RNA)
where:
Base-Base interactions energy: -239.706
where: short stacking energy: -97.283
Base-Backbone interact. energy: -0.038
local terms energy: -91.029413
where:
bonds (distance) C4'-P energy: -13.896
bonds (distance) P-C4' energy: -20.507
flat angles C4'-P-C4' energy: -22.573
flat angles P-C4'-P energy: -13.832
tors. eta vs tors. theta energy: -20.222
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 358
Temperature: 1.000000
Total energy: -291.386084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.386084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.386084 (E_RNA)
where:
Base-Base interactions energy: -194.886
where: short stacking energy: -85.647
Base-Backbone interact. energy: -0.399
local terms energy: -96.101586
where:
bonds (distance) C4'-P energy: -19.703
bonds (distance) P-C4' energy: -19.372
flat angles C4'-P-C4' energy: -18.981
flat angles P-C4'-P energy: -12.928
tors. eta vs tors. theta energy: -25.117
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 358
Temperature: 1.050000
Total energy: -319.967571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.967571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.967571 (E_RNA)
where:
Base-Base interactions energy: -228.398
where: short stacking energy: -90.011
Base-Backbone interact. energy: -0.834
local terms energy: -90.735098
where:
bonds (distance) C4'-P energy: -17.803
bonds (distance) P-C4' energy: -14.255
flat angles C4'-P-C4' energy: -18.562
flat angles P-C4'-P energy: -16.273
tors. eta vs tors. theta energy: -23.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 358
Temperature: 1.100000
Total energy: -247.131283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.131283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.131283 (E_RNA)
where:
Base-Base interactions energy: -161.356
where: short stacking energy: -80.264
Base-Backbone interact. energy: -0.120
local terms energy: -85.655087
where:
bonds (distance) C4'-P energy: -12.259
bonds (distance) P-C4' energy: -19.591
flat angles C4'-P-C4' energy: -18.781
flat angles P-C4'-P energy: -12.445
tors. eta vs tors. theta energy: -22.579
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 358
Temperature: 1.150000
Total energy: -247.277759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.277759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.277759 (E_RNA)
where:
Base-Base interactions energy: -157.373
where: short stacking energy: -80.980
Base-Backbone interact. energy: -0.111
local terms energy: -89.793867
where:
bonds (distance) C4'-P energy: -17.422
bonds (distance) P-C4' energy: -22.616
flat angles C4'-P-C4' energy: -19.797
flat angles P-C4'-P energy: -11.090
tors. eta vs tors. theta energy: -18.869
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 358
Temperature: 1.200000
Total energy: -219.483960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.483960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.483960 (E_RNA)
where:
Base-Base interactions energy: -141.421
where: short stacking energy: -68.915
Base-Backbone interact. energy: -1.142
local terms energy: -76.921318
where:
bonds (distance) C4'-P energy: -14.752
bonds (distance) P-C4' energy: -16.766
flat angles C4'-P-C4' energy: -15.849
flat angles P-C4'-P energy: -16.146
tors. eta vs tors. theta energy: -13.409
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 358
Temperature: 1.250000
Total energy: -228.615357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.615357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.615357 (E_RNA)
where:
Base-Base interactions energy: -157.261
where: short stacking energy: -77.937
Base-Backbone interact. energy: -0.034
local terms energy: -71.320398
where:
bonds (distance) C4'-P energy: -13.779
bonds (distance) P-C4' energy: -20.665
flat angles C4'-P-C4' energy: -19.577
flat angles P-C4'-P energy: -1.253
tors. eta vs tors. theta energy: -16.046
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 358
Temperature: 1.300000
Total energy: -135.355023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.355023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.355023 (E_RNA)
where:
Base-Base interactions energy: -76.534
where: short stacking energy: -32.126
Base-Backbone interact. energy: -0.196
local terms energy: -58.624638
where:
bonds (distance) C4'-P energy: -14.727
bonds (distance) P-C4' energy: -20.905
flat angles C4'-P-C4' energy: -11.968
flat angles P-C4'-P energy: -10.444
tors. eta vs tors. theta energy: -0.580
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 358
Temperature: 1.350000
Total energy: -108.309728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.309728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.309728 (E_RNA)
where:
Base-Base interactions energy: -43.539
where: short stacking energy: -44.039
Base-Backbone interact. energy: -0.107
local terms energy: -64.663007
where:
bonds (distance) C4'-P energy: -17.810
bonds (distance) P-C4' energy: -18.349
flat angles C4'-P-C4' energy: -11.847
flat angles P-C4'-P energy: -10.341
tors. eta vs tors. theta energy: -6.316
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 359
Temperature: 0.900000
Total energy: -352.419369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.419369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.419369 (E_RNA)
where:
Base-Base interactions energy: -255.798
where: short stacking energy: -95.795
Base-Backbone interact. energy: 0.041
local terms energy: -96.662352
where:
bonds (distance) C4'-P energy: -19.062
bonds (distance) P-C4' energy: -19.482
flat angles C4'-P-C4' energy: -18.458
flat angles P-C4'-P energy: -15.590
tors. eta vs tors. theta energy: -24.071
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 359
Temperature: 0.950000
Total energy: -338.397521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.397521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.397521 (E_RNA)
where:
Base-Base interactions energy: -238.293
where: short stacking energy: -98.539
Base-Backbone interact. energy: -1.152
local terms energy: -98.952156
where:
bonds (distance) C4'-P energy: -16.605
bonds (distance) P-C4' energy: -18.112
flat angles C4'-P-C4' energy: -23.102
flat angles P-C4'-P energy: -15.475
tors. eta vs tors. theta energy: -25.657
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 359
Temperature: 1.000000
Total energy: -316.490478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.490478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.490478 (E_RNA)
where:
Base-Base interactions energy: -211.858
where: short stacking energy: -106.877
Base-Backbone interact. energy: -0.066
local terms energy: -104.566778
where:
bonds (distance) C4'-P energy: -19.537
bonds (distance) P-C4' energy: -20.559
flat angles C4'-P-C4' energy: -20.692
flat angles P-C4'-P energy: -15.291
tors. eta vs tors. theta energy: -28.488
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 359
Temperature: 1.050000
Total energy: -312.474573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.474573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.474573 (E_RNA)
where:
Base-Base interactions energy: -214.186
where: short stacking energy: -87.229
Base-Backbone interact. energy: -0.619
local terms energy: -97.669072
where:
bonds (distance) C4'-P energy: -22.015
bonds (distance) P-C4' energy: -20.394
flat angles C4'-P-C4' energy: -20.405
flat angles P-C4'-P energy: -13.698
tors. eta vs tors. theta energy: -21.158
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 359
Temperature: 1.100000
Total energy: -244.504637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.504637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.504637 (E_RNA)
where:
Base-Base interactions energy: -149.851
where: short stacking energy: -70.348
Base-Backbone interact. energy: -0.179
local terms energy: -94.474938
where:
bonds (distance) C4'-P energy: -21.297
bonds (distance) P-C4' energy: -18.747
flat angles C4'-P-C4' energy: -20.147
flat angles P-C4'-P energy: -14.578
tors. eta vs tors. theta energy: -19.705
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 359
Temperature: 1.150000
Total energy: -253.774426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.774426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.774426 (E_RNA)
where:
Base-Base interactions energy: -172.027
where: short stacking energy: -78.472
Base-Backbone interact. energy: -0.143
local terms energy: -81.604679
where:
bonds (distance) C4'-P energy: -14.475
bonds (distance) P-C4' energy: -16.304
flat angles C4'-P-C4' energy: -18.242
flat angles P-C4'-P energy: -13.872
tors. eta vs tors. theta energy: -18.712
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 359
Temperature: 1.200000
Total energy: -212.215361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.215361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.215361 (E_RNA)
where:
Base-Base interactions energy: -136.046
where: short stacking energy: -72.777
Base-Backbone interact. energy: 0.280
local terms energy: -76.449354
where:
bonds (distance) C4'-P energy: -18.884
bonds (distance) P-C4' energy: -17.446
flat angles C4'-P-C4' energy: -18.166
flat angles P-C4'-P energy: -9.418
tors. eta vs tors. theta energy: -12.536
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 359
Temperature: 1.250000
Total energy: -227.107326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.107326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.107326 (E_RNA)
where:
Base-Base interactions energy: -144.160
where: short stacking energy: -79.464
Base-Backbone interact. energy: -0.158
local terms energy: -82.790079
where:
bonds (distance) C4'-P energy: -16.925
bonds (distance) P-C4' energy: -13.929
flat angles C4'-P-C4' energy: -18.558
flat angles P-C4'-P energy: -13.243
tors. eta vs tors. theta energy: -20.135
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 359
Temperature: 1.300000
Total energy: -160.155327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.155327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.155327 (E_RNA)
where:
Base-Base interactions energy: -89.656
where: short stacking energy: -46.652
Base-Backbone interact. energy: -0.443
local terms energy: -70.055961
where:
bonds (distance) C4'-P energy: -18.013
bonds (distance) P-C4' energy: -15.374
flat angles C4'-P-C4' energy: -17.311
flat angles P-C4'-P energy: -8.846
tors. eta vs tors. theta energy: -10.512
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 359
Temperature: 1.350000
Total energy: -98.447547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.447547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.447547 (E_RNA)
where:
Base-Base interactions energy: -33.315
where: short stacking energy: -24.501
Base-Backbone interact. energy: -0.130
local terms energy: -65.002800
where:
bonds (distance) C4'-P energy: -17.257
bonds (distance) P-C4' energy: -20.606
flat angles C4'-P-C4' energy: -17.959
flat angles P-C4'-P energy: -10.828
tors. eta vs tors. theta energy: 1.646
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 360
Temperature: 0.900000
Total energy: -356.110792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.110792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.110792 (E_RNA)
where:
Base-Base interactions energy: -255.066
where: short stacking energy: -105.647
Base-Backbone interact. energy: -0.123
local terms energy: -100.921440
where:
bonds (distance) C4'-P energy: -16.825
bonds (distance) P-C4' energy: -21.152
flat angles C4'-P-C4' energy: -22.944
flat angles P-C4'-P energy: -12.428
tors. eta vs tors. theta energy: -27.573
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 360
Temperature: 0.950000
Total energy: -341.729968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.729968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.729968 (E_RNA)
where:
Base-Base interactions energy: -235.854
where: short stacking energy: -104.644
Base-Backbone interact. energy: -0.252
local terms energy: -105.623686
where:
bonds (distance) C4'-P energy: -20.587
bonds (distance) P-C4' energy: -18.017
flat angles C4'-P-C4' energy: -24.174
flat angles P-C4'-P energy: -16.375
tors. eta vs tors. theta energy: -26.470
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 360
Temperature: 1.000000
Total energy: -319.076568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.076568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.076568 (E_RNA)
where:
Base-Base interactions energy: -231.632
where: short stacking energy: -100.471
Base-Backbone interact. energy: -0.860
local terms energy: -86.584855
where:
bonds (distance) C4'-P energy: -13.351
bonds (distance) P-C4' energy: -20.446
flat angles C4'-P-C4' energy: -16.344
flat angles P-C4'-P energy: -13.242
tors. eta vs tors. theta energy: -23.202
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 360
Temperature: 1.050000
Total energy: -302.167814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.167814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.167814 (E_RNA)
where:
Base-Base interactions energy: -204.533
where: short stacking energy: -95.466
Base-Backbone interact. energy: -0.913
local terms energy: -96.721726
where:
bonds (distance) C4'-P energy: -16.238
bonds (distance) P-C4' energy: -20.414
flat angles C4'-P-C4' energy: -18.480
flat angles P-C4'-P energy: -14.198
tors. eta vs tors. theta energy: -27.393
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 360
Temperature: 1.100000
Total energy: -257.032567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.032567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.032567 (E_RNA)
where:
Base-Base interactions energy: -169.081
where: short stacking energy: -73.871
Base-Backbone interact. energy: -0.220
local terms energy: -87.731540
where:
bonds (distance) C4'-P energy: -20.125
bonds (distance) P-C4' energy: -15.750
flat angles C4'-P-C4' energy: -21.834
flat angles P-C4'-P energy: -13.511
tors. eta vs tors. theta energy: -16.512
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 360
Temperature: 1.150000
Total energy: -247.876514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.876514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.876514 (E_RNA)
where:
Base-Base interactions energy: -162.016
where: short stacking energy: -74.055
Base-Backbone interact. energy: -0.226
local terms energy: -85.634736
where:
bonds (distance) C4'-P energy: -14.463
bonds (distance) P-C4' energy: -19.630
flat angles C4'-P-C4' energy: -20.941
flat angles P-C4'-P energy: -10.218
tors. eta vs tors. theta energy: -20.384
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 360
Temperature: 1.200000
Total energy: -229.443500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.443500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.443500 (E_RNA)
where:
Base-Base interactions energy: -152.008
where: short stacking energy: -68.148
Base-Backbone interact. energy: -0.129
local terms energy: -77.306458
where:
bonds (distance) C4'-P energy: -18.189
bonds (distance) P-C4' energy: -21.432
flat angles C4'-P-C4' energy: -14.505
flat angles P-C4'-P energy: -8.016
tors. eta vs tors. theta energy: -15.164
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 360
Temperature: 1.250000
Total energy: -205.869952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.869952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.869952 (E_RNA)
where:
Base-Base interactions energy: -129.772
where: short stacking energy: -70.680
Base-Backbone interact. energy: -0.507
local terms energy: -75.590791
where:
bonds (distance) C4'-P energy: -13.515
bonds (distance) P-C4' energy: -21.070
flat angles C4'-P-C4' energy: -16.728
flat angles P-C4'-P energy: -5.918
tors. eta vs tors. theta energy: -18.361
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 360
Temperature: 1.300000
Total energy: -102.895483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.895483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.895483 (E_RNA)
where:
Base-Base interactions energy: -41.083
where: short stacking energy: -40.880
Base-Backbone interact. energy: -0.004
local terms energy: -61.808437
where:
bonds (distance) C4'-P energy: -17.575
bonds (distance) P-C4' energy: -16.867
flat angles C4'-P-C4' energy: -13.811
flat angles P-C4'-P energy: -8.863
tors. eta vs tors. theta energy: -4.694
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 360
Temperature: 1.350000
Total energy: -158.087977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.087977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.087977 (E_RNA)
where:
Base-Base interactions energy: -87.137
where: short stacking energy: -50.325
Base-Backbone interact. energy: 0.067
local terms energy: -71.018086
where:
bonds (distance) C4'-P energy: -20.378
bonds (distance) P-C4' energy: -13.891
flat angles C4'-P-C4' energy: -19.931
flat angles P-C4'-P energy: -8.970
tors. eta vs tors. theta energy: -7.848
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 361
Temperature: 0.900000
Total energy: -353.993074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.993074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.993074 (E_RNA)
where:
Base-Base interactions energy: -248.194
where: short stacking energy: -103.381
Base-Backbone interact. energy: 0.091
local terms energy: -105.890877
where:
bonds (distance) C4'-P energy: -20.792
bonds (distance) P-C4' energy: -17.779
flat angles C4'-P-C4' energy: -22.576
flat angles P-C4'-P energy: -17.599
tors. eta vs tors. theta energy: -27.144
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 361
Temperature: 0.950000
Total energy: -324.297931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.297931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.297931 (E_RNA)
where:
Base-Base interactions energy: -223.801
where: short stacking energy: -84.440
Base-Backbone interact. energy: -0.724
local terms energy: -99.772765
where:
bonds (distance) C4'-P energy: -17.658
bonds (distance) P-C4' energy: -23.293
flat angles C4'-P-C4' energy: -18.863
flat angles P-C4'-P energy: -17.220
tors. eta vs tors. theta energy: -22.738
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 361
Temperature: 1.000000
Total energy: -330.478349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.478349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.478349 (E_RNA)
where:
Base-Base interactions energy: -231.341
where: short stacking energy: -96.238
Base-Backbone interact. energy: -0.560
local terms energy: -98.577302
where:
bonds (distance) C4'-P energy: -18.565
bonds (distance) P-C4' energy: -19.652
flat angles C4'-P-C4' energy: -21.102
flat angles P-C4'-P energy: -13.140
tors. eta vs tors. theta energy: -26.118
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 361
Temperature: 1.050000
Total energy: -274.097051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.097051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.097051 (E_RNA)
where:
Base-Base interactions energy: -180.064
where: short stacking energy: -86.699
Base-Backbone interact. energy: -0.095
local terms energy: -93.937871
where:
bonds (distance) C4'-P energy: -16.999
bonds (distance) P-C4' energy: -21.324
flat angles C4'-P-C4' energy: -20.189
flat angles P-C4'-P energy: -9.782
tors. eta vs tors. theta energy: -25.644
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 361
Temperature: 1.100000
Total energy: -283.491470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.491470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.491470 (E_RNA)
where:
Base-Base interactions energy: -191.623
where: short stacking energy: -86.041
Base-Backbone interact. energy: -0.146
local terms energy: -91.722646
where:
bonds (distance) C4'-P energy: -21.956
bonds (distance) P-C4' energy: -15.946
flat angles C4'-P-C4' energy: -17.065
flat angles P-C4'-P energy: -13.416
tors. eta vs tors. theta energy: -23.340
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 361
Temperature: 1.150000
Total energy: -252.622632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.622632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.622632 (E_RNA)
where:
Base-Base interactions energy: -169.883
where: short stacking energy: -78.359
Base-Backbone interact. energy: -0.652
local terms energy: -82.087234
where:
bonds (distance) C4'-P energy: -16.064
bonds (distance) P-C4' energy: -20.865
flat angles C4'-P-C4' energy: -17.354
flat angles P-C4'-P energy: -12.824
tors. eta vs tors. theta energy: -14.980
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 361
Temperature: 1.200000
Total energy: -228.623836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.623836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.623836 (E_RNA)
where:
Base-Base interactions energy: -152.030
where: short stacking energy: -71.663
Base-Backbone interact. energy: -0.049
local terms energy: -76.544804
where:
bonds (distance) C4'-P energy: -20.378
bonds (distance) P-C4' energy: -21.648
flat angles C4'-P-C4' energy: -14.215
flat angles P-C4'-P energy: -4.306
tors. eta vs tors. theta energy: -15.997
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 361
Temperature: 1.250000
Total energy: -119.857266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.857266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.857266 (E_RNA)
where:
Base-Base interactions energy: -50.132
where: short stacking energy: -48.788
Base-Backbone interact. energy: -0.022
local terms energy: -69.703301
where:
bonds (distance) C4'-P energy: -11.552
bonds (distance) P-C4' energy: -14.256
flat angles C4'-P-C4' energy: -18.033
flat angles P-C4'-P energy: -15.211
tors. eta vs tors. theta energy: -10.651
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 361
Temperature: 1.300000
Total energy: -203.627500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.627500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.627500 (E_RNA)
where:
Base-Base interactions energy: -130.634
where: short stacking energy: -72.750
Base-Backbone interact. energy: -0.015
local terms energy: -72.978823
where:
bonds (distance) C4'-P energy: -12.518
bonds (distance) P-C4' energy: -17.592
flat angles C4'-P-C4' energy: -16.870
flat angles P-C4'-P energy: -9.940
tors. eta vs tors. theta energy: -16.058
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 361
Temperature: 1.350000
Total energy: -152.995466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.995466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.995466 (E_RNA)
where:
Base-Base interactions energy: -93.516
where: short stacking energy: -48.568
Base-Backbone interact. energy: -0.486
local terms energy: -58.993391
where:
bonds (distance) C4'-P energy: -16.858
bonds (distance) P-C4' energy: -13.362
flat angles C4'-P-C4' energy: -13.259
flat angles P-C4'-P energy: -10.952
tors. eta vs tors. theta energy: -4.562
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 362
Temperature: 0.900000
Total energy: -351.962975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.962975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.962975 (E_RNA)
where:
Base-Base interactions energy: -245.528
where: short stacking energy: -100.919
Base-Backbone interact. energy: -0.940
local terms energy: -105.495411
where:
bonds (distance) C4'-P energy: -20.876
bonds (distance) P-C4' energy: -21.443
flat angles C4'-P-C4' energy: -21.015
flat angles P-C4'-P energy: -16.654
tors. eta vs tors. theta energy: -25.507
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 362
Temperature: 0.950000
Total energy: -321.946432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.946432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.946432 (E_RNA)
where:
Base-Base interactions energy: -227.701
where: short stacking energy: -86.904
Base-Backbone interact. energy: -1.308
local terms energy: -92.937099
where:
bonds (distance) C4'-P energy: -15.402
bonds (distance) P-C4' energy: -23.300
flat angles C4'-P-C4' energy: -20.246
flat angles P-C4'-P energy: -10.236
tors. eta vs tors. theta energy: -23.753
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 362
Temperature: 1.000000
Total energy: -275.027644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.027644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.027644 (E_RNA)
where:
Base-Base interactions energy: -183.305
where: short stacking energy: -90.651
Base-Backbone interact. energy: -0.037
local terms energy: -91.686281
where:
bonds (distance) C4'-P energy: -17.192
bonds (distance) P-C4' energy: -15.303
flat angles C4'-P-C4' energy: -21.508
flat angles P-C4'-P energy: -14.200
tors. eta vs tors. theta energy: -23.482
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 362
Temperature: 1.050000
Total energy: -328.358581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.358581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.358581 (E_RNA)
where:
Base-Base interactions energy: -233.305
where: short stacking energy: -90.467
Base-Backbone interact. energy: -0.712
local terms energy: -94.341860
where:
bonds (distance) C4'-P energy: -19.020
bonds (distance) P-C4' energy: -18.996
flat angles C4'-P-C4' energy: -19.484
flat angles P-C4'-P energy: -12.766
tors. eta vs tors. theta energy: -24.075
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 362
Temperature: 1.100000
Total energy: -267.748755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.748755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.748755 (E_RNA)
where:
Base-Base interactions energy: -184.472
where: short stacking energy: -77.186
Base-Backbone interact. energy: -0.446
local terms energy: -82.830404
where:
bonds (distance) C4'-P energy: -16.844
bonds (distance) P-C4' energy: -16.309
flat angles C4'-P-C4' energy: -15.943
flat angles P-C4'-P energy: -13.288
tors. eta vs tors. theta energy: -20.447
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 362
Temperature: 1.150000
Total energy: -271.182871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.182871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.182871 (E_RNA)
where:
Base-Base interactions energy: -177.166
where: short stacking energy: -72.823
Base-Backbone interact. energy: -0.577
local terms energy: -93.439795
where:
bonds (distance) C4'-P energy: -17.939
bonds (distance) P-C4' energy: -20.820
flat angles C4'-P-C4' energy: -22.667
flat angles P-C4'-P energy: -10.913
tors. eta vs tors. theta energy: -21.101
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 362
Temperature: 1.200000
Total energy: -243.443937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.443937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.443937 (E_RNA)
where:
Base-Base interactions energy: -155.271
where: short stacking energy: -80.903
Base-Backbone interact. energy: -0.128
local terms energy: -88.045010
where:
bonds (distance) C4'-P energy: -13.568
bonds (distance) P-C4' energy: -22.947
flat angles C4'-P-C4' energy: -19.191
flat angles P-C4'-P energy: -15.341
tors. eta vs tors. theta energy: -16.998
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 362
Temperature: 1.250000
Total energy: -115.992349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.992349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.992349 (E_RNA)
where:
Base-Base interactions energy: -46.841
where: short stacking energy: -46.841
Base-Backbone interact. energy: -0.301
local terms energy: -68.850217
where:
bonds (distance) C4'-P energy: -19.977
bonds (distance) P-C4' energy: -18.525
flat angles C4'-P-C4' energy: -15.567
flat angles P-C4'-P energy: -7.809
tors. eta vs tors. theta energy: -6.973
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 362
Temperature: 1.300000
Total energy: -197.537785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.537785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.537785 (E_RNA)
where:
Base-Base interactions energy: -123.273
where: short stacking energy: -68.868
Base-Backbone interact. energy: 0.312
local terms energy: -74.576766
where:
bonds (distance) C4'-P energy: -17.771
bonds (distance) P-C4' energy: -21.726
flat angles C4'-P-C4' energy: -13.765
flat angles P-C4'-P energy: -6.449
tors. eta vs tors. theta energy: -14.865
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 362
Temperature: 1.350000
Total energy: -159.238882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.238882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.238882 (E_RNA)
where:
Base-Base interactions energy: -98.379
where: short stacking energy: -53.675
Base-Backbone interact. energy: -0.591
local terms energy: -60.268916
where:
bonds (distance) C4'-P energy: -15.036
bonds (distance) P-C4' energy: -18.300
flat angles C4'-P-C4' energy: -16.951
flat angles P-C4'-P energy: 3.359
tors. eta vs tors. theta energy: -13.341
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 363
Temperature: 0.900000
Total energy: -355.374588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.374588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.374588 (E_RNA)
where:
Base-Base interactions energy: -253.862
where: short stacking energy: -100.441
Base-Backbone interact. energy: 0.183
local terms energy: -101.695269
where:
bonds (distance) C4'-P energy: -21.447
bonds (distance) P-C4' energy: -19.393
flat angles C4'-P-C4' energy: -21.809
flat angles P-C4'-P energy: -13.745
tors. eta vs tors. theta energy: -25.301
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 363
Temperature: 0.950000
Total energy: -326.371823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.371823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.371823 (E_RNA)
where:
Base-Base interactions energy: -227.449
where: short stacking energy: -101.686
Base-Backbone interact. energy: -0.392
local terms energy: -98.530249
where:
bonds (distance) C4'-P energy: -18.713
bonds (distance) P-C4' energy: -20.977
flat angles C4'-P-C4' energy: -21.236
flat angles P-C4'-P energy: -7.306
tors. eta vs tors. theta energy: -30.299
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 363
Temperature: 1.000000
Total energy: -277.736474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.736474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.736474 (E_RNA)
where:
Base-Base interactions energy: -194.751
where: short stacking energy: -81.603
Base-Backbone interact. energy: -0.297
local terms energy: -82.688268
where:
bonds (distance) C4'-P energy: -20.126
bonds (distance) P-C4' energy: -9.316
flat angles C4'-P-C4' energy: -19.643
flat angles P-C4'-P energy: -13.561
tors. eta vs tors. theta energy: -20.042
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 363
Temperature: 1.050000
Total energy: -325.994414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.994414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.994414 (E_RNA)
where:
Base-Base interactions energy: -232.415
where: short stacking energy: -90.040
Base-Backbone interact. energy: -0.510
local terms energy: -93.069536
where:
bonds (distance) C4'-P energy: -16.634
bonds (distance) P-C4' energy: -19.414
flat angles C4'-P-C4' energy: -19.250
flat angles P-C4'-P energy: -9.951
tors. eta vs tors. theta energy: -27.821
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 363
Temperature: 1.100000
Total energy: -267.819154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.819154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.819154 (E_RNA)
where:
Base-Base interactions energy: -178.971
where: short stacking energy: -81.303
Base-Backbone interact. energy: -1.273
local terms energy: -87.574887
where:
bonds (distance) C4'-P energy: -15.950
bonds (distance) P-C4' energy: -17.368
flat angles C4'-P-C4' energy: -19.914
flat angles P-C4'-P energy: -13.295
tors. eta vs tors. theta energy: -21.048
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 363
Temperature: 1.150000
Total energy: -276.207085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.207085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.207085 (E_RNA)
where:
Base-Base interactions energy: -189.748
where: short stacking energy: -85.528
Base-Backbone interact. energy: -0.170
local terms energy: -86.289089
where:
bonds (distance) C4'-P energy: -18.402
bonds (distance) P-C4' energy: -17.692
flat angles C4'-P-C4' energy: -18.525
flat angles P-C4'-P energy: -12.217
tors. eta vs tors. theta energy: -19.453
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 363
Temperature: 1.200000
Total energy: -239.883586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.883586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.883586 (E_RNA)
where:
Base-Base interactions energy: -168.073
where: short stacking energy: -65.984
Base-Backbone interact. energy: -0.712
local terms energy: -71.098467
where:
bonds (distance) C4'-P energy: -13.407
bonds (distance) P-C4' energy: -19.381
flat angles C4'-P-C4' energy: -18.222
flat angles P-C4'-P energy: -7.755
tors. eta vs tors. theta energy: -12.333
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 363
Temperature: 1.250000
Total energy: -207.085490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.085490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.085490 (E_RNA)
where:
Base-Base interactions energy: -138.131
where: short stacking energy: -65.303
Base-Backbone interact. energy: -0.118
local terms energy: -68.836540
where:
bonds (distance) C4'-P energy: -14.550
bonds (distance) P-C4' energy: -14.512
flat angles C4'-P-C4' energy: -14.719
flat angles P-C4'-P energy: -10.207
tors. eta vs tors. theta energy: -14.849
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 363
Temperature: 1.300000
Total energy: -132.794178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.794178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.794178 (E_RNA)
where:
Base-Base interactions energy: -65.962
where: short stacking energy: -39.851
Base-Backbone interact. energy: 3.678
local terms energy: -70.510077
where:
bonds (distance) C4'-P energy: -18.069
bonds (distance) P-C4' energy: -17.825
flat angles C4'-P-C4' energy: -10.072
flat angles P-C4'-P energy: -16.509
tors. eta vs tors. theta energy: -8.034
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 363
Temperature: 1.350000
Total energy: -100.802945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.802945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.802945 (E_RNA)
where:
Base-Base interactions energy: -36.698
where: short stacking energy: -30.518
Base-Backbone interact. energy: -0.318
local terms energy: -63.786535
where:
bonds (distance) C4'-P energy: -14.276
bonds (distance) P-C4' energy: -21.504
flat angles C4'-P-C4' energy: -18.049
flat angles P-C4'-P energy: -10.773
tors. eta vs tors. theta energy: 0.815
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 364
Temperature: 0.900000
Total energy: -357.885999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.885999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.885999 (E_RNA)
where:
Base-Base interactions energy: -256.457
where: short stacking energy: -99.062
Base-Backbone interact. energy: 1.158
local terms energy: -102.587105
where:
bonds (distance) C4'-P energy: -16.061
bonds (distance) P-C4' energy: -22.779
flat angles C4'-P-C4' energy: -22.848
flat angles P-C4'-P energy: -15.514
tors. eta vs tors. theta energy: -25.385
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 364
Temperature: 0.950000
Total energy: -326.709046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.709046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.709046 (E_RNA)
where:
Base-Base interactions energy: -224.345
where: short stacking energy: -94.414
Base-Backbone interact. energy: -0.266
local terms energy: -102.098000
where:
bonds (distance) C4'-P energy: -20.779
bonds (distance) P-C4' energy: -15.419
flat angles C4'-P-C4' energy: -22.814
flat angles P-C4'-P energy: -16.366
tors. eta vs tors. theta energy: -26.720
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 364
Temperature: 1.000000
Total energy: -332.909585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.909585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.909585 (E_RNA)
where:
Base-Base interactions energy: -238.314
where: short stacking energy: -99.035
Base-Backbone interact. energy: -0.657
local terms energy: -93.938223
where:
bonds (distance) C4'-P energy: -12.645
bonds (distance) P-C4' energy: -18.394
flat angles C4'-P-C4' energy: -19.435
flat angles P-C4'-P energy: -17.218
tors. eta vs tors. theta energy: -26.246
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 364
Temperature: 1.050000
Total energy: -258.755300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.755300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.755300 (E_RNA)
where:
Base-Base interactions energy: -174.260
where: short stacking energy: -73.442
Base-Backbone interact. energy: -0.406
local terms energy: -84.088390
where:
bonds (distance) C4'-P energy: -14.445
bonds (distance) P-C4' energy: -20.586
flat angles C4'-P-C4' energy: -16.536
flat angles P-C4'-P energy: -18.475
tors. eta vs tors. theta energy: -14.047
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 364
Temperature: 1.100000
Total energy: -266.752095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.752095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.752095 (E_RNA)
where:
Base-Base interactions energy: -183.214
where: short stacking energy: -74.914
Base-Backbone interact. energy: 0.283
local terms energy: -83.820874
where:
bonds (distance) C4'-P energy: -16.152
bonds (distance) P-C4' energy: -21.668
flat angles C4'-P-C4' energy: -21.794
flat angles P-C4'-P energy: -10.235
tors. eta vs tors. theta energy: -13.971
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 364
Temperature: 1.150000
Total energy: -246.454045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.454045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.454045 (E_RNA)
where:
Base-Base interactions energy: -165.580
where: short stacking energy: -74.386
Base-Backbone interact. energy: -0.693
local terms energy: -80.181456
where:
bonds (distance) C4'-P energy: -15.991
bonds (distance) P-C4' energy: -19.651
flat angles C4'-P-C4' energy: -15.363
flat angles P-C4'-P energy: -14.082
tors. eta vs tors. theta energy: -15.093
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 364
Temperature: 1.200000
Total energy: -225.335210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.335210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.335210 (E_RNA)
where:
Base-Base interactions energy: -154.487
where: short stacking energy: -73.715
Base-Backbone interact. energy: 2.028
local terms energy: -72.875708
where:
bonds (distance) C4'-P energy: -16.871
bonds (distance) P-C4' energy: -15.144
flat angles C4'-P-C4' energy: -19.117
flat angles P-C4'-P energy: -7.782
tors. eta vs tors. theta energy: -13.961
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 364
Temperature: 1.250000
Total energy: -217.666081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.666081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.666081 (E_RNA)
where:
Base-Base interactions energy: -139.337
where: short stacking energy: -68.821
Base-Backbone interact. energy: -0.587
local terms energy: -77.742734
where:
bonds (distance) C4'-P energy: -18.345
bonds (distance) P-C4' energy: -17.953
flat angles C4'-P-C4' energy: -16.615
flat angles P-C4'-P energy: -7.246
tors. eta vs tors. theta energy: -17.583
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 364
Temperature: 1.300000
Total energy: -167.266006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.266006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.266006 (E_RNA)
where:
Base-Base interactions energy: -104.735
where: short stacking energy: -50.141
Base-Backbone interact. energy: -0.237
local terms energy: -62.293281
where:
bonds (distance) C4'-P energy: -18.275
bonds (distance) P-C4' energy: -16.939
flat angles C4'-P-C4' energy: -12.046
flat angles P-C4'-P energy: -11.038
tors. eta vs tors. theta energy: -3.996
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 364
Temperature: 1.350000
Total energy: -113.149520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.149520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.149520 (E_RNA)
where:
Base-Base interactions energy: -54.193
where: short stacking energy: -49.222
Base-Backbone interact. energy: -0.062
local terms energy: -58.894644
where:
bonds (distance) C4'-P energy: -17.335
bonds (distance) P-C4' energy: -20.176
flat angles C4'-P-C4' energy: -12.664
flat angles P-C4'-P energy: -3.558
tors. eta vs tors. theta energy: -5.162
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 365
Temperature: 0.900000
Total energy: -355.348040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.348040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.348040 (E_RNA)
where:
Base-Base interactions energy: -254.226
where: short stacking energy: -105.380
Base-Backbone interact. energy: -0.238
local terms energy: -100.884158
where:
bonds (distance) C4'-P energy: -16.296
bonds (distance) P-C4' energy: -17.158
flat angles C4'-P-C4' energy: -23.782
flat angles P-C4'-P energy: -16.399
tors. eta vs tors. theta energy: -27.248
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 365
Temperature: 0.950000
Total energy: -334.998423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.998423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.998423 (E_RNA)
where:
Base-Base interactions energy: -239.610
where: short stacking energy: -94.696
Base-Backbone interact. energy: -0.538
local terms energy: -94.850039
where:
bonds (distance) C4'-P energy: -17.231
bonds (distance) P-C4' energy: -16.706
flat angles C4'-P-C4' energy: -19.341
flat angles P-C4'-P energy: -14.547
tors. eta vs tors. theta energy: -27.024
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 365
Temperature: 1.000000
Total energy: -318.483315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.483315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.483315 (E_RNA)
where:
Base-Base interactions energy: -222.482
where: short stacking energy: -99.225
Base-Backbone interact. energy: -0.026
local terms energy: -95.976032
where:
bonds (distance) C4'-P energy: -14.459
bonds (distance) P-C4' energy: -17.470
flat angles C4'-P-C4' energy: -20.294
flat angles P-C4'-P energy: -15.310
tors. eta vs tors. theta energy: -28.443
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 365
Temperature: 1.050000
Total energy: -264.636335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.636335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.636335 (E_RNA)
where:
Base-Base interactions energy: -179.503
where: short stacking energy: -71.545
Base-Backbone interact. energy: 0.350
local terms energy: -85.483205
where:
bonds (distance) C4'-P energy: -15.998
bonds (distance) P-C4' energy: -23.311
flat angles C4'-P-C4' energy: -21.555
flat angles P-C4'-P energy: -12.597
tors. eta vs tors. theta energy: -12.023
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 365
Temperature: 1.100000
Total energy: -253.841567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.841567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.841567 (E_RNA)
where:
Base-Base interactions energy: -169.737
where: short stacking energy: -76.103
Base-Backbone interact. energy: 0.204
local terms energy: -84.308044
where:
bonds (distance) C4'-P energy: -18.275
bonds (distance) P-C4' energy: -15.162
flat angles C4'-P-C4' energy: -21.562
flat angles P-C4'-P energy: -13.138
tors. eta vs tors. theta energy: -16.170
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 365
Temperature: 1.150000
Total energy: -270.402844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.402844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.402844 (E_RNA)
where:
Base-Base interactions energy: -177.814
where: short stacking energy: -100.307
Base-Backbone interact. energy: -0.043
local terms energy: -92.546222
where:
bonds (distance) C4'-P energy: -15.211
bonds (distance) P-C4' energy: -20.586
flat angles C4'-P-C4' energy: -17.908
flat angles P-C4'-P energy: -11.789
tors. eta vs tors. theta energy: -27.052
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 365
Temperature: 1.200000
Total energy: -241.172425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.172425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.172425 (E_RNA)
where:
Base-Base interactions energy: -165.192
where: short stacking energy: -68.464
Base-Backbone interact. energy: -0.241
local terms energy: -75.739225
where:
bonds (distance) C4'-P energy: -18.254
bonds (distance) P-C4' energy: -21.204
flat angles C4'-P-C4' energy: -17.204
flat angles P-C4'-P energy: -9.426
tors. eta vs tors. theta energy: -9.652
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 365
Temperature: 1.250000
Total energy: -211.816350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.816350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.816350 (E_RNA)
where:
Base-Base interactions energy: -132.861
where: short stacking energy: -67.668
Base-Backbone interact. energy: 1.575
local terms energy: -80.531176
where:
bonds (distance) C4'-P energy: -19.765
bonds (distance) P-C4' energy: -19.130
flat angles C4'-P-C4' energy: -17.819
flat angles P-C4'-P energy: -9.143
tors. eta vs tors. theta energy: -14.674
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 365
Temperature: 1.300000
Total energy: -160.881302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.881302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.881302 (E_RNA)
where:
Base-Base interactions energy: -97.964
where: short stacking energy: -59.298
Base-Backbone interact. energy: -0.321
local terms energy: -62.596911
where:
bonds (distance) C4'-P energy: -12.458
bonds (distance) P-C4' energy: -14.964
flat angles C4'-P-C4' energy: -12.689
flat angles P-C4'-P energy: -9.566
tors. eta vs tors. theta energy: -12.920
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 365
Temperature: 1.350000
Total energy: -98.195646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.195646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.195646 (E_RNA)
where:
Base-Base interactions energy: -39.660
where: short stacking energy: -27.637
Base-Backbone interact. energy: -0.889
local terms energy: -57.646720
where:
bonds (distance) C4'-P energy: -15.402
bonds (distance) P-C4' energy: -15.275
flat angles C4'-P-C4' energy: -17.423
flat angles P-C4'-P energy: -11.431
tors. eta vs tors. theta energy: 1.883
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 366
Temperature: 0.900000
Total energy: -348.723124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.723124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.723124 (E_RNA)
where:
Base-Base interactions energy: -247.262
where: short stacking energy: -101.357
Base-Backbone interact. energy: -0.793
local terms energy: -100.667190
where:
bonds (distance) C4'-P energy: -19.882
bonds (distance) P-C4' energy: -18.310
flat angles C4'-P-C4' energy: -20.418
flat angles P-C4'-P energy: -14.133
tors. eta vs tors. theta energy: -27.925
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 366
Temperature: 0.950000
Total energy: -329.810277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.810277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.810277 (E_RNA)
where:
Base-Base interactions energy: -235.933
where: short stacking energy: -100.596
Base-Backbone interact. energy: -0.473
local terms energy: -93.404158
where:
bonds (distance) C4'-P energy: -15.827
bonds (distance) P-C4' energy: -18.720
flat angles C4'-P-C4' energy: -19.981
flat angles P-C4'-P energy: -13.882
tors. eta vs tors. theta energy: -24.994
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 366
Temperature: 1.000000
Total energy: -316.388687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.388687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.388687 (E_RNA)
where:
Base-Base interactions energy: -224.491
where: short stacking energy: -95.071
Base-Backbone interact. energy: 1.260
local terms energy: -93.157385
where:
bonds (distance) C4'-P energy: -19.903
bonds (distance) P-C4' energy: -12.456
flat angles C4'-P-C4' energy: -22.474
flat angles P-C4'-P energy: -12.516
tors. eta vs tors. theta energy: -25.809
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 366
Temperature: 1.050000
Total energy: -287.243102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.243102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.243102 (E_RNA)
where:
Base-Base interactions energy: -197.651
where: short stacking energy: -96.213
Base-Backbone interact. energy: -0.124
local terms energy: -89.468067
where:
bonds (distance) C4'-P energy: -13.765
bonds (distance) P-C4' energy: -14.983
flat angles C4'-P-C4' energy: -19.928
flat angles P-C4'-P energy: -14.200
tors. eta vs tors. theta energy: -26.592
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 366
Temperature: 1.100000
Total energy: -268.936201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.936201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.936201 (E_RNA)
where:
Base-Base interactions energy: -183.314
where: short stacking energy: -77.408
Base-Backbone interact. energy: -0.909
local terms energy: -84.712838
where:
bonds (distance) C4'-P energy: -18.382
bonds (distance) P-C4' energy: -18.557
flat angles C4'-P-C4' energy: -17.748
flat angles P-C4'-P energy: -8.293
tors. eta vs tors. theta energy: -21.732
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 366
Temperature: 1.150000
Total energy: -259.963147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.963147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.963147 (E_RNA)
where:
Base-Base interactions energy: -172.311
where: short stacking energy: -73.312
Base-Backbone interact. energy: -0.120
local terms energy: -87.531812
where:
bonds (distance) C4'-P energy: -20.287
bonds (distance) P-C4' energy: -14.793
flat angles C4'-P-C4' energy: -18.026
flat angles P-C4'-P energy: -15.566
tors. eta vs tors. theta energy: -18.860
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 366
Temperature: 1.200000
Total energy: -251.329396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.329396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.329396 (E_RNA)
where:
Base-Base interactions energy: -174.386
where: short stacking energy: -67.546
Base-Backbone interact. energy: -0.239
local terms energy: -76.705047
where:
bonds (distance) C4'-P energy: -20.192
bonds (distance) P-C4' energy: -18.833
flat angles C4'-P-C4' energy: -16.603
flat angles P-C4'-P energy: -8.367
tors. eta vs tors. theta energy: -12.710
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 366
Temperature: 1.250000
Total energy: -219.878036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.878036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.878036 (E_RNA)
where:
Base-Base interactions energy: -139.017
where: short stacking energy: -63.867
Base-Backbone interact. energy: -0.410
local terms energy: -80.451217
where:
bonds (distance) C4'-P energy: -19.509
bonds (distance) P-C4' energy: -17.629
flat angles C4'-P-C4' energy: -18.076
flat angles P-C4'-P energy: -11.660
tors. eta vs tors. theta energy: -13.578
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 366
Temperature: 1.300000
Total energy: -164.434730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.434730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.434730 (E_RNA)
where:
Base-Base interactions energy: -94.570
where: short stacking energy: -51.798
Base-Backbone interact. energy: -0.580
local terms energy: -69.285223
where:
bonds (distance) C4'-P energy: -21.814
bonds (distance) P-C4' energy: -18.458
flat angles C4'-P-C4' energy: -21.569
flat angles P-C4'-P energy: 4.511
tors. eta vs tors. theta energy: -11.957
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 366
Temperature: 1.350000
Total energy: -115.248217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.248217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.248217 (E_RNA)
where:
Base-Base interactions energy: -48.093
where: short stacking energy: -29.488
Base-Backbone interact. energy: -0.534
local terms energy: -66.621449
where:
bonds (distance) C4'-P energy: -17.695
bonds (distance) P-C4' energy: -19.493
flat angles C4'-P-C4' energy: -15.717
flat angles P-C4'-P energy: -12.727
tors. eta vs tors. theta energy: -0.989
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 367
Temperature: 0.900000
Total energy: -356.985153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.985153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.985153 (E_RNA)
where:
Base-Base interactions energy: -255.533
where: short stacking energy: -104.932
Base-Backbone interact. energy: -0.092
local terms energy: -101.360187
where:
bonds (distance) C4'-P energy: -21.134
bonds (distance) P-C4' energy: -16.986
flat angles C4'-P-C4' energy: -20.270
flat angles P-C4'-P energy: -14.642
tors. eta vs tors. theta energy: -28.328
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 367
Temperature: 0.950000
Total energy: -327.225976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.225976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.225976 (E_RNA)
where:
Base-Base interactions energy: -224.166
where: short stacking energy: -89.552
Base-Backbone interact. energy: -0.178
local terms energy: -102.881934
where:
bonds (distance) C4'-P energy: -21.803
bonds (distance) P-C4' energy: -18.569
flat angles C4'-P-C4' energy: -18.102
flat angles P-C4'-P energy: -17.582
tors. eta vs tors. theta energy: -26.826
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 367
Temperature: 1.000000
Total energy: -342.960137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.960137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.960137 (E_RNA)
where:
Base-Base interactions energy: -245.489
where: short stacking energy: -104.840
Base-Backbone interact. energy: -0.175
local terms energy: -97.296768
where:
bonds (distance) C4'-P energy: -17.719
bonds (distance) P-C4' energy: -16.005
flat angles C4'-P-C4' energy: -23.980
flat angles P-C4'-P energy: -13.047
tors. eta vs tors. theta energy: -26.546
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 367
Temperature: 1.050000
Total energy: -283.337918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.337918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.337918 (E_RNA)
where:
Base-Base interactions energy: -204.752
where: short stacking energy: -89.498
Base-Backbone interact. energy: -0.823
local terms energy: -77.763574
where:
bonds (distance) C4'-P energy: -13.033
bonds (distance) P-C4' energy: -16.628
flat angles C4'-P-C4' energy: -21.437
flat angles P-C4'-P energy: -6.485
tors. eta vs tors. theta energy: -20.180
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 367
Temperature: 1.100000
Total energy: -291.823121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.823121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.823121 (E_RNA)
where:
Base-Base interactions energy: -196.155
where: short stacking energy: -92.206
Base-Backbone interact. energy: -0.394
local terms energy: -95.274010
where:
bonds (distance) C4'-P energy: -19.572
bonds (distance) P-C4' energy: -22.820
flat angles C4'-P-C4' energy: -12.095
flat angles P-C4'-P energy: -14.995
tors. eta vs tors. theta energy: -25.793
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 367
Temperature: 1.150000
Total energy: -238.545260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.545260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.545260 (E_RNA)
where:
Base-Base interactions energy: -158.423
where: short stacking energy: -71.266
Base-Backbone interact. energy: -0.075
local terms energy: -80.047263
where:
bonds (distance) C4'-P energy: -16.809
bonds (distance) P-C4' energy: -11.391
flat angles C4'-P-C4' energy: -20.230
flat angles P-C4'-P energy: -12.900
tors. eta vs tors. theta energy: -18.717
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 367
Temperature: 1.200000
Total energy: -248.637944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.637944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.637944 (E_RNA)
where:
Base-Base interactions energy: -159.545
where: short stacking energy: -59.859
Base-Backbone interact. energy: -0.101
local terms energy: -88.992049
where:
bonds (distance) C4'-P energy: -19.902
bonds (distance) P-C4' energy: -19.654
flat angles C4'-P-C4' energy: -18.277
flat angles P-C4'-P energy: -15.527
tors. eta vs tors. theta energy: -15.632
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 367
Temperature: 1.250000
Total energy: -221.269816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.269816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.269816 (E_RNA)
where:
Base-Base interactions energy: -141.479
where: short stacking energy: -66.010
Base-Backbone interact. energy: 0.952
local terms energy: -80.742586
where:
bonds (distance) C4'-P energy: -18.440
bonds (distance) P-C4' energy: -14.261
flat angles C4'-P-C4' energy: -19.481
flat angles P-C4'-P energy: -12.666
tors. eta vs tors. theta energy: -15.894
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 367
Temperature: 1.300000
Total energy: -193.279546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.279546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.279546 (E_RNA)
where:
Base-Base interactions energy: -115.578
where: short stacking energy: -55.559
Base-Backbone interact. energy: -0.121
local terms energy: -77.580769
where:
bonds (distance) C4'-P energy: -14.808
bonds (distance) P-C4' energy: -15.093
flat angles C4'-P-C4' energy: -20.202
flat angles P-C4'-P energy: -15.962
tors. eta vs tors. theta energy: -11.516
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 367
Temperature: 1.350000
Total energy: -107.440369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.440369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.440369 (E_RNA)
where:
Base-Base interactions energy: -47.722
where: short stacking energy: -35.798
Base-Backbone interact. energy: 0.764
local terms energy: -60.483122
where:
bonds (distance) C4'-P energy: -20.796
bonds (distance) P-C4' energy: -12.935
flat angles C4'-P-C4' energy: -10.275
flat angles P-C4'-P energy: -13.414
tors. eta vs tors. theta energy: -3.063
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 368
Temperature: 0.900000
Total energy: -358.772682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.772682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.772682 (E_RNA)
where:
Base-Base interactions energy: -258.959
where: short stacking energy: -100.546
Base-Backbone interact. energy: 0.186
local terms energy: -99.999792
where:
bonds (distance) C4'-P energy: -17.331
bonds (distance) P-C4' energy: -18.456
flat angles C4'-P-C4' energy: -22.057
flat angles P-C4'-P energy: -15.670
tors. eta vs tors. theta energy: -26.486
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 368
Temperature: 0.950000
Total energy: -328.214801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.214801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.214801 (E_RNA)
where:
Base-Base interactions energy: -225.338
where: short stacking energy: -96.028
Base-Backbone interact. energy: -1.546
local terms energy: -101.330682
where:
bonds (distance) C4'-P energy: -20.057
bonds (distance) P-C4' energy: -18.730
flat angles C4'-P-C4' energy: -17.914
flat angles P-C4'-P energy: -17.466
tors. eta vs tors. theta energy: -27.164
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 368
Temperature: 1.000000
Total energy: -330.635842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.635842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.635842 (E_RNA)
where:
Base-Base interactions energy: -239.338
where: short stacking energy: -90.971
Base-Backbone interact. energy: -0.035
local terms energy: -91.262803
where:
bonds (distance) C4'-P energy: -18.486
bonds (distance) P-C4' energy: -13.135
flat angles C4'-P-C4' energy: -18.989
flat angles P-C4'-P energy: -16.281
tors. eta vs tors. theta energy: -24.372
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 368
Temperature: 1.050000
Total energy: -274.759418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.759418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.759418 (E_RNA)
where:
Base-Base interactions energy: -193.910
where: short stacking energy: -76.878
Base-Backbone interact. energy: -1.182
local terms energy: -79.667294
where:
bonds (distance) C4'-P energy: -17.059
bonds (distance) P-C4' energy: -16.452
flat angles C4'-P-C4' energy: -21.248
flat angles P-C4'-P energy: -6.143
tors. eta vs tors. theta energy: -18.766
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 368
Temperature: 1.100000
Total energy: -277.396497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.396497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.396497 (E_RNA)
where:
Base-Base interactions energy: -179.924
where: short stacking energy: -87.918
Base-Backbone interact. energy: 0.369
local terms energy: -97.841507
where:
bonds (distance) C4'-P energy: -20.777
bonds (distance) P-C4' energy: -16.122
flat angles C4'-P-C4' energy: -23.700
flat angles P-C4'-P energy: -13.112
tors. eta vs tors. theta energy: -24.131
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 368
Temperature: 1.150000
Total energy: -273.888994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.888994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.888994 (E_RNA)
where:
Base-Base interactions energy: -193.151
where: short stacking energy: -81.837
Base-Backbone interact. energy: -0.507
local terms energy: -80.231234
where:
bonds (distance) C4'-P energy: -18.810
bonds (distance) P-C4' energy: -11.599
flat angles C4'-P-C4' energy: -14.904
flat angles P-C4'-P energy: -9.237
tors. eta vs tors. theta energy: -25.682
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 368
Temperature: 1.200000
Total energy: -247.210853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.210853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.210853 (E_RNA)
where:
Base-Base interactions energy: -165.407
where: short stacking energy: -91.514
Base-Backbone interact. energy: 0.500
local terms energy: -82.303846
where:
bonds (distance) C4'-P energy: -16.498
bonds (distance) P-C4' energy: -17.176
flat angles C4'-P-C4' energy: -16.217
flat angles P-C4'-P energy: -12.868
tors. eta vs tors. theta energy: -19.545
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 368
Temperature: 1.250000
Total energy: -231.753818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.753818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.753818 (E_RNA)
where:
Base-Base interactions energy: -156.534
where: short stacking energy: -72.386
Base-Backbone interact. energy: -0.126
local terms energy: -75.094215
where:
bonds (distance) C4'-P energy: -17.837
bonds (distance) P-C4' energy: -14.660
flat angles C4'-P-C4' energy: -17.111
flat angles P-C4'-P energy: -12.578
tors. eta vs tors. theta energy: -12.908
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 368
Temperature: 1.300000
Total energy: -206.673264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.673264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.673264 (E_RNA)
where:
Base-Base interactions energy: -132.001
where: short stacking energy: -66.798
Base-Backbone interact. energy: -0.231
local terms energy: -74.440814
where:
bonds (distance) C4'-P energy: -19.195
bonds (distance) P-C4' energy: -22.846
flat angles C4'-P-C4' energy: -18.464
flat angles P-C4'-P energy: -2.556
tors. eta vs tors. theta energy: -11.381
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 368
Temperature: 1.350000
Total energy: -109.237723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.237723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.237723 (E_RNA)
where:
Base-Base interactions energy: -43.430
where: short stacking energy: -39.842
Base-Backbone interact. energy: 0.639
local terms energy: -66.446521
where:
bonds (distance) C4'-P energy: -18.883
bonds (distance) P-C4' energy: -16.259
flat angles C4'-P-C4' energy: -20.033
flat angles P-C4'-P energy: -2.624
tors. eta vs tors. theta energy: -8.648
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 369
Temperature: 0.900000
Total energy: -359.094401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.094401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.094401 (E_RNA)
where:
Base-Base interactions energy: -267.334
where: short stacking energy: -110.425
Base-Backbone interact. energy: -0.209
local terms energy: -91.551832
where:
bonds (distance) C4'-P energy: -11.338
bonds (distance) P-C4' energy: -18.389
flat angles C4'-P-C4' energy: -18.586
flat angles P-C4'-P energy: -16.357
tors. eta vs tors. theta energy: -26.881
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 369
Temperature: 0.950000
Total energy: -335.769526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.769526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.769526 (E_RNA)
where:
Base-Base interactions energy: -243.193
where: short stacking energy: -92.118
Base-Backbone interact. energy: -0.407
local terms energy: -92.169014
where:
bonds (distance) C4'-P energy: -22.543
bonds (distance) P-C4' energy: -18.157
flat angles C4'-P-C4' energy: -17.488
flat angles P-C4'-P energy: -10.817
tors. eta vs tors. theta energy: -23.164
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 369
Temperature: 1.000000
Total energy: -323.974000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.974000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.974000 (E_RNA)
where:
Base-Base interactions energy: -224.277
where: short stacking energy: -103.890
Base-Backbone interact. energy: -0.265
local terms energy: -99.432078
where:
bonds (distance) C4'-P energy: -17.915
bonds (distance) P-C4' energy: -19.579
flat angles C4'-P-C4' energy: -19.332
flat angles P-C4'-P energy: -14.893
tors. eta vs tors. theta energy: -27.712
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 369
Temperature: 1.050000
Total energy: -285.502471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.502471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.502471 (E_RNA)
where:
Base-Base interactions energy: -193.937
where: short stacking energy: -88.869
Base-Backbone interact. energy: -0.200
local terms energy: -91.365302
where:
bonds (distance) C4'-P energy: -11.960
bonds (distance) P-C4' energy: -19.141
flat angles C4'-P-C4' energy: -23.049
flat angles P-C4'-P energy: -15.992
tors. eta vs tors. theta energy: -21.223
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 369
Temperature: 1.100000
Total energy: -269.033492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.033492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.033492 (E_RNA)
where:
Base-Base interactions energy: -173.721
where: short stacking energy: -74.935
Base-Backbone interact. energy: -0.081
local terms energy: -95.231025
where:
bonds (distance) C4'-P energy: -18.541
bonds (distance) P-C4' energy: -22.187
flat angles C4'-P-C4' energy: -22.685
flat angles P-C4'-P energy: -11.463
tors. eta vs tors. theta energy: -20.355
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 369
Temperature: 1.150000
Total energy: -288.607222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.607222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.607222 (E_RNA)
where:
Base-Base interactions energy: -200.917
where: short stacking energy: -82.339
Base-Backbone interact. energy: -0.360
local terms energy: -87.330208
where:
bonds (distance) C4'-P energy: -22.455
bonds (distance) P-C4' energy: -15.919
flat angles C4'-P-C4' energy: -13.243
flat angles P-C4'-P energy: -10.164
tors. eta vs tors. theta energy: -25.548
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 369
Temperature: 1.200000
Total energy: -215.578637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.578637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.578637 (E_RNA)
where:
Base-Base interactions energy: -144.498
where: short stacking energy: -68.357
Base-Backbone interact. energy: -0.900
local terms energy: -70.181327
where:
bonds (distance) C4'-P energy: -15.054
bonds (distance) P-C4' energy: -9.261
flat angles C4'-P-C4' energy: -18.869
flat angles P-C4'-P energy: -10.034
tors. eta vs tors. theta energy: -16.963
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 369
Temperature: 1.250000
Total energy: -223.547097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.547097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.547097 (E_RNA)
where:
Base-Base interactions energy: -141.687
where: short stacking energy: -72.400
Base-Backbone interact. energy: -0.143
local terms energy: -81.717070
where:
bonds (distance) C4'-P energy: -16.441
bonds (distance) P-C4' energy: -16.060
flat angles C4'-P-C4' energy: -21.649
flat angles P-C4'-P energy: -11.641
tors. eta vs tors. theta energy: -15.925
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 369
Temperature: 1.300000
Total energy: -145.580096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.580096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.580096 (E_RNA)
where:
Base-Base interactions energy: -85.571
where: short stacking energy: -36.958
Base-Backbone interact. energy: 1.944
local terms energy: -61.953158
where:
bonds (distance) C4'-P energy: -14.740
bonds (distance) P-C4' energy: -16.965
flat angles C4'-P-C4' energy: -19.725
flat angles P-C4'-P energy: -12.937
tors. eta vs tors. theta energy: 2.414
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 369
Temperature: 1.350000
Total energy: -116.750389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.750389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.750389 (E_RNA)
where:
Base-Base interactions energy: -56.615
where: short stacking energy: -47.863
Base-Backbone interact. energy: 0.670
local terms energy: -60.805612
where:
bonds (distance) C4'-P energy: -10.161
bonds (distance) P-C4' energy: -17.027
flat angles C4'-P-C4' energy: -17.914
flat angles P-C4'-P energy: -11.948
tors. eta vs tors. theta energy: -3.756
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 370
Temperature: 0.900000
Total energy: -356.150388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.150388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.150388 (E_RNA)
where:
Base-Base interactions energy: -255.740
where: short stacking energy: -98.791
Base-Backbone interact. energy: 1.926
local terms energy: -102.337160
where:
bonds (distance) C4'-P energy: -17.695
bonds (distance) P-C4' energy: -21.025
flat angles C4'-P-C4' energy: -23.521
flat angles P-C4'-P energy: -14.155
tors. eta vs tors. theta energy: -25.941
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 370
Temperature: 0.950000
Total energy: -349.299991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.299991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.299991 (E_RNA)
where:
Base-Base interactions energy: -248.315
where: short stacking energy: -97.592
Base-Backbone interact. energy: -0.271
local terms energy: -100.713576
where:
bonds (distance) C4'-P energy: -17.737
bonds (distance) P-C4' energy: -17.803
flat angles C4'-P-C4' energy: -22.913
flat angles P-C4'-P energy: -16.843
tors. eta vs tors. theta energy: -25.418
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 370
Temperature: 1.000000
Total energy: -321.351534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.351534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.351534 (E_RNA)
where:
Base-Base interactions energy: -220.579
where: short stacking energy: -86.424
Base-Backbone interact. energy: -0.658
local terms energy: -100.114957
where:
bonds (distance) C4'-P energy: -20.157
bonds (distance) P-C4' energy: -17.419
flat angles C4'-P-C4' energy: -20.407
flat angles P-C4'-P energy: -15.553
tors. eta vs tors. theta energy: -26.579
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 370
Temperature: 1.050000
Total energy: -271.092072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.092072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.092072 (E_RNA)
where:
Base-Base interactions energy: -181.927
where: short stacking energy: -73.368
Base-Backbone interact. energy: -0.157
local terms energy: -89.008324
where:
bonds (distance) C4'-P energy: -15.521
bonds (distance) P-C4' energy: -18.590
flat angles C4'-P-C4' energy: -19.679
flat angles P-C4'-P energy: -16.452
tors. eta vs tors. theta energy: -18.766
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 370
Temperature: 1.100000
Total energy: -265.062497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.062497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.062497 (E_RNA)
where:
Base-Base interactions energy: -179.795
where: short stacking energy: -78.938
Base-Backbone interact. energy: -0.785
local terms energy: -84.483222
where:
bonds (distance) C4'-P energy: -17.244
bonds (distance) P-C4' energy: -20.130
flat angles C4'-P-C4' energy: -17.315
flat angles P-C4'-P energy: -10.761
tors. eta vs tors. theta energy: -19.033
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 370
Temperature: 1.150000
Total energy: -270.864517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.864517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.864517 (E_RNA)
where:
Base-Base interactions energy: -177.565
where: short stacking energy: -80.783
Base-Backbone interact. energy: -0.377
local terms energy: -92.923142
where:
bonds (distance) C4'-P energy: -17.926
bonds (distance) P-C4' energy: -15.635
flat angles C4'-P-C4' energy: -22.125
flat angles P-C4'-P energy: -17.082
tors. eta vs tors. theta energy: -20.154
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 370
Temperature: 1.200000
Total energy: -235.859793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.859793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.859793 (E_RNA)
where:
Base-Base interactions energy: -153.251
where: short stacking energy: -77.246
Base-Backbone interact. energy: 0.490
local terms energy: -83.098922
where:
bonds (distance) C4'-P energy: -11.297
bonds (distance) P-C4' energy: -21.994
flat angles C4'-P-C4' energy: -19.849
flat angles P-C4'-P energy: -11.964
tors. eta vs tors. theta energy: -17.995
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 370
Temperature: 1.250000
Total energy: -208.781316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.781316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.781316 (E_RNA)
where:
Base-Base interactions energy: -128.148
where: short stacking energy: -62.713
Base-Backbone interact. energy: 0.484
local terms energy: -81.117639
where:
bonds (distance) C4'-P energy: -19.400
bonds (distance) P-C4' energy: -21.264
flat angles C4'-P-C4' energy: -16.836
flat angles P-C4'-P energy: -11.982
tors. eta vs tors. theta energy: -11.634
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 370
Temperature: 1.300000
Total energy: -102.679103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.679103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.679103 (E_RNA)
where:
Base-Base interactions energy: -41.102
where: short stacking energy: -30.353
Base-Backbone interact. energy: 0.032
local terms energy: -61.608156
where:
bonds (distance) C4'-P energy: -17.986
bonds (distance) P-C4' energy: -15.720
flat angles C4'-P-C4' energy: -15.314
flat angles P-C4'-P energy: -9.464
tors. eta vs tors. theta energy: -3.123
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 370
Temperature: 1.350000
Total energy: -102.938400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.938400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.938400 (E_RNA)
where:
Base-Base interactions energy: -45.555
where: short stacking energy: -23.284
Base-Backbone interact. energy: -0.237
local terms energy: -57.146533
where:
bonds (distance) C4'-P energy: -14.561
bonds (distance) P-C4' energy: -20.328
flat angles C4'-P-C4' energy: -14.019
flat angles P-C4'-P energy: -12.555
tors. eta vs tors. theta energy: 4.316
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 371
Temperature: 0.900000
Total energy: -357.201505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.201505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.201505 (E_RNA)
where:
Base-Base interactions energy: -251.727
where: short stacking energy: -98.884
Base-Backbone interact. energy: 1.076
local terms energy: -106.550634
where:
bonds (distance) C4'-P energy: -19.733
bonds (distance) P-C4' energy: -21.602
flat angles C4'-P-C4' energy: -20.955
flat angles P-C4'-P energy: -16.781
tors. eta vs tors. theta energy: -27.480
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 371
Temperature: 0.950000
Total energy: -341.956250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.956250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.956250 (E_RNA)
where:
Base-Base interactions energy: -243.057
where: short stacking energy: -96.560
Base-Backbone interact. energy: -0.391
local terms energy: -98.508601
where:
bonds (distance) C4'-P energy: -15.787
bonds (distance) P-C4' energy: -17.038
flat angles C4'-P-C4' energy: -23.279
flat angles P-C4'-P energy: -16.164
tors. eta vs tors. theta energy: -26.240
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 371
Temperature: 1.000000
Total energy: -326.666672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.666672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.666672 (E_RNA)
where:
Base-Base interactions energy: -232.018
where: short stacking energy: -89.888
Base-Backbone interact. energy: -1.025
local terms energy: -93.623375
where:
bonds (distance) C4'-P energy: -19.563
bonds (distance) P-C4' energy: -20.008
flat angles C4'-P-C4' energy: -18.084
flat angles P-C4'-P energy: -13.463
tors. eta vs tors. theta energy: -22.506
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 371
Temperature: 1.050000
Total energy: -255.351531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.351531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.351531 (E_RNA)
where:
Base-Base interactions energy: -171.513
where: short stacking energy: -82.729
Base-Backbone interact. energy: -0.098
local terms energy: -83.740735
where:
bonds (distance) C4'-P energy: -17.136
bonds (distance) P-C4' energy: -18.739
flat angles C4'-P-C4' energy: -17.353
flat angles P-C4'-P energy: -15.636
tors. eta vs tors. theta energy: -14.876
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 371
Temperature: 1.100000
Total energy: -246.748237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.748237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.748237 (E_RNA)
where:
Base-Base interactions energy: -160.560
where: short stacking energy: -61.046
Base-Backbone interact. energy: -1.010
local terms energy: -85.178379
where:
bonds (distance) C4'-P energy: -22.643
bonds (distance) P-C4' energy: -19.759
flat angles C4'-P-C4' energy: -20.047
flat angles P-C4'-P energy: -11.916
tors. eta vs tors. theta energy: -10.815
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 371
Temperature: 1.150000
Total energy: -265.194715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.194715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.194715 (E_RNA)
where:
Base-Base interactions energy: -175.980
where: short stacking energy: -79.971
Base-Backbone interact. energy: -0.656
local terms energy: -88.558660
where:
bonds (distance) C4'-P energy: -23.139
bonds (distance) P-C4' energy: -19.219
flat angles C4'-P-C4' energy: -14.415
flat angles P-C4'-P energy: -14.744
tors. eta vs tors. theta energy: -17.042
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 371
Temperature: 1.200000
Total energy: -224.742779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.742779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.742779 (E_RNA)
where:
Base-Base interactions energy: -142.570
where: short stacking energy: -68.936
Base-Backbone interact. energy: -0.177
local terms energy: -81.995812
where:
bonds (distance) C4'-P energy: -16.727
bonds (distance) P-C4' energy: -18.048
flat angles C4'-P-C4' energy: -18.427
flat angles P-C4'-P energy: -14.084
tors. eta vs tors. theta energy: -14.709
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 371
Temperature: 1.250000
Total energy: -215.501137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.501137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.501137 (E_RNA)
where:
Base-Base interactions energy: -139.575
where: short stacking energy: -67.432
Base-Backbone interact. energy: -0.568
local terms energy: -75.357977
where:
bonds (distance) C4'-P energy: -19.223
bonds (distance) P-C4' energy: -18.813
flat angles C4'-P-C4' energy: -11.960
flat angles P-C4'-P energy: -9.547
tors. eta vs tors. theta energy: -15.816
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 371
Temperature: 1.300000
Total energy: -111.951476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.951476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.951476 (E_RNA)
where:
Base-Base interactions energy: -46.134
where: short stacking energy: -41.376
Base-Backbone interact. energy: -0.305
local terms energy: -65.511994
where:
bonds (distance) C4'-P energy: -17.389
bonds (distance) P-C4' energy: -19.789
flat angles C4'-P-C4' energy: -15.036
flat angles P-C4'-P energy: -11.900
tors. eta vs tors. theta energy: -1.397
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 371
Temperature: 1.350000
Total energy: -106.553506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.553506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.553506 (E_RNA)
where:
Base-Base interactions energy: -39.437
where: short stacking energy: -36.548
Base-Backbone interact. energy: 0.810
local terms energy: -67.926580
where:
bonds (distance) C4'-P energy: -14.562
bonds (distance) P-C4' energy: -19.801
flat angles C4'-P-C4' energy: -19.438
flat angles P-C4'-P energy: -10.873
tors. eta vs tors. theta energy: -3.252
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 372
Temperature: 0.900000
Total energy: -355.404076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.404076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.404076 (E_RNA)
where:
Base-Base interactions energy: -256.231
where: short stacking energy: -103.256
Base-Backbone interact. energy: 1.341
local terms energy: -100.513393
where:
bonds (distance) C4'-P energy: -20.035
bonds (distance) P-C4' energy: -19.992
flat angles C4'-P-C4' energy: -23.703
flat angles P-C4'-P energy: -13.055
tors. eta vs tors. theta energy: -23.728
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 372
Temperature: 0.950000
Total energy: -331.620684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.620684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.620684 (E_RNA)
where:
Base-Base interactions energy: -238.973
where: short stacking energy: -99.183
Base-Backbone interact. energy: -0.335
local terms energy: -92.312622
where:
bonds (distance) C4'-P energy: -18.307
bonds (distance) P-C4' energy: -19.864
flat angles C4'-P-C4' energy: -18.618
flat angles P-C4'-P energy: -14.488
tors. eta vs tors. theta energy: -21.036
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 372
Temperature: 1.000000
Total energy: -318.647456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.647456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.647456 (E_RNA)
where:
Base-Base interactions energy: -218.725
where: short stacking energy: -88.973
Base-Backbone interact. energy: -1.187
local terms energy: -98.735638
where:
bonds (distance) C4'-P energy: -18.866
bonds (distance) P-C4' energy: -20.266
flat angles C4'-P-C4' energy: -17.921
flat angles P-C4'-P energy: -16.633
tors. eta vs tors. theta energy: -25.050
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 372
Temperature: 1.050000
Total energy: -257.314753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.314753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.314753 (E_RNA)
where:
Base-Base interactions energy: -180.763
where: short stacking energy: -78.960
Base-Backbone interact. energy: -0.082
local terms energy: -76.469807
where:
bonds (distance) C4'-P energy: -12.326
bonds (distance) P-C4' energy: -20.365
flat angles C4'-P-C4' energy: -18.987
flat angles P-C4'-P energy: -9.255
tors. eta vs tors. theta energy: -15.536
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 372
Temperature: 1.100000
Total energy: -271.957231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.957231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.957231 (E_RNA)
where:
Base-Base interactions energy: -185.996
where: short stacking energy: -71.001
Base-Backbone interact. energy: -0.384
local terms energy: -85.577369
where:
bonds (distance) C4'-P energy: -15.252
bonds (distance) P-C4' energy: -18.042
flat angles C4'-P-C4' energy: -18.634
flat angles P-C4'-P energy: -12.194
tors. eta vs tors. theta energy: -21.456
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 372
Temperature: 1.150000
Total energy: -257.934267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.934267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.934267 (E_RNA)
where:
Base-Base interactions energy: -169.703
where: short stacking energy: -72.908
Base-Backbone interact. energy: -1.070
local terms energy: -87.160606
where:
bonds (distance) C4'-P energy: -19.079
bonds (distance) P-C4' energy: -21.491
flat angles C4'-P-C4' energy: -19.982
flat angles P-C4'-P energy: -13.217
tors. eta vs tors. theta energy: -13.392
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 372
Temperature: 1.200000
Total energy: -195.440891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.440891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.440891 (E_RNA)
where:
Base-Base interactions energy: -114.610
where: short stacking energy: -58.456
Base-Backbone interact. energy: -0.557
local terms energy: -80.273852
where:
bonds (distance) C4'-P energy: -13.981
bonds (distance) P-C4' energy: -20.955
flat angles C4'-P-C4' energy: -16.761
flat angles P-C4'-P energy: -17.052
tors. eta vs tors. theta energy: -11.525
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 372
Temperature: 1.250000
Total energy: -219.153086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.153086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.153086 (E_RNA)
where:
Base-Base interactions energy: -139.778
where: short stacking energy: -65.597
Base-Backbone interact. energy: 0.367
local terms energy: -79.741752
where:
bonds (distance) C4'-P energy: -15.672
bonds (distance) P-C4' energy: -20.722
flat angles C4'-P-C4' energy: -15.499
flat angles P-C4'-P energy: -15.555
tors. eta vs tors. theta energy: -12.294
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 372
Temperature: 1.300000
Total energy: -119.183966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.183966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.183966 (E_RNA)
where:
Base-Base interactions energy: -57.350
where: short stacking energy: -52.813
Base-Backbone interact. energy: -0.025
local terms energy: -61.808988
where:
bonds (distance) C4'-P energy: -14.802
bonds (distance) P-C4' energy: -19.560
flat angles C4'-P-C4' energy: -15.089
flat angles P-C4'-P energy: -5.148
tors. eta vs tors. theta energy: -7.210
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 372
Temperature: 1.350000
Total energy: -99.878952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.878952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.878952 (E_RNA)
where:
Base-Base interactions energy: -38.266
where: short stacking energy: -30.985
Base-Backbone interact. energy: -0.212
local terms energy: -61.401054
where:
bonds (distance) C4'-P energy: -18.867
bonds (distance) P-C4' energy: -20.182
flat angles C4'-P-C4' energy: -16.009
flat angles P-C4'-P energy: -7.151
tors. eta vs tors. theta energy: 0.807
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 373
Temperature: 0.900000
Total energy: -352.775656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.775656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.775656 (E_RNA)
where:
Base-Base interactions energy: -254.944
where: short stacking energy: -93.067
Base-Backbone interact. energy: 0.075
local terms energy: -97.907035
where:
bonds (distance) C4'-P energy: -15.170
bonds (distance) P-C4' energy: -19.146
flat angles C4'-P-C4' energy: -21.633
flat angles P-C4'-P energy: -14.941
tors. eta vs tors. theta energy: -27.018
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 373
Temperature: 0.950000
Total energy: -327.119329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.119329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.119329 (E_RNA)
where:
Base-Base interactions energy: -236.307
where: short stacking energy: -91.025
Base-Backbone interact. energy: 0.611
local terms energy: -91.422871
where:
bonds (distance) C4'-P energy: -18.097
bonds (distance) P-C4' energy: -18.956
flat angles C4'-P-C4' energy: -15.278
flat angles P-C4'-P energy: -12.607
tors. eta vs tors. theta energy: -26.485
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 373
Temperature: 1.000000
Total energy: -341.284538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.284538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.284538 (E_RNA)
where:
Base-Base interactions energy: -244.570
where: short stacking energy: -100.783
Base-Backbone interact. energy: -0.977
local terms energy: -95.737346
where:
bonds (distance) C4'-P energy: -19.373
bonds (distance) P-C4' energy: -18.037
flat angles C4'-P-C4' energy: -24.862
flat angles P-C4'-P energy: -8.665
tors. eta vs tors. theta energy: -24.801
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 373
Temperature: 1.050000
Total energy: -295.290039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.290039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.290039 (E_RNA)
where:
Base-Base interactions energy: -205.045
where: short stacking energy: -84.987
Base-Backbone interact. energy: 0.698
local terms energy: -90.943198
where:
bonds (distance) C4'-P energy: -15.505
bonds (distance) P-C4' energy: -20.693
flat angles C4'-P-C4' energy: -17.652
flat angles P-C4'-P energy: -11.521
tors. eta vs tors. theta energy: -25.573
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 373
Temperature: 1.100000
Total energy: -254.021521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.021521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.021521 (E_RNA)
where:
Base-Base interactions energy: -178.661
where: short stacking energy: -67.005
Base-Backbone interact. energy: -0.230
local terms energy: -75.130026
where:
bonds (distance) C4'-P energy: -20.009
bonds (distance) P-C4' energy: -14.452
flat angles C4'-P-C4' energy: -23.545
flat angles P-C4'-P energy: -7.055
tors. eta vs tors. theta energy: -10.069
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 373
Temperature: 1.150000
Total energy: -228.199521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.199521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.199521 (E_RNA)
where:
Base-Base interactions energy: -151.858
where: short stacking energy: -60.604
Base-Backbone interact. energy: -0.128
local terms energy: -76.213120
where:
bonds (distance) C4'-P energy: -16.585
bonds (distance) P-C4' energy: -17.347
flat angles C4'-P-C4' energy: -20.230
flat angles P-C4'-P energy: -14.235
tors. eta vs tors. theta energy: -7.817
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 373
Temperature: 1.200000
Total energy: -212.543112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.543112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.543112 (E_RNA)
where:
Base-Base interactions energy: -131.501
where: short stacking energy: -64.213
Base-Backbone interact. energy: -1.191
local terms energy: -79.851279
where:
bonds (distance) C4'-P energy: -17.366
bonds (distance) P-C4' energy: -21.796
flat angles C4'-P-C4' energy: -17.152
flat angles P-C4'-P energy: -13.713
tors. eta vs tors. theta energy: -9.824
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 373
Temperature: 1.250000
Total energy: -212.423092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.423092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.423092 (E_RNA)
where:
Base-Base interactions energy: -138.845
where: short stacking energy: -68.379
Base-Backbone interact. energy: -0.317
local terms energy: -73.260872
where:
bonds (distance) C4'-P energy: -16.904
bonds (distance) P-C4' energy: -14.545
flat angles C4'-P-C4' energy: -17.511
flat angles P-C4'-P energy: -12.489
tors. eta vs tors. theta energy: -11.812
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 373
Temperature: 1.300000
Total energy: -118.766314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.766314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.766314 (E_RNA)
where:
Base-Base interactions energy: -51.709
where: short stacking energy: -50.864
Base-Backbone interact. energy: -0.346
local terms energy: -66.711139
where:
bonds (distance) C4'-P energy: -16.370
bonds (distance) P-C4' energy: -18.467
flat angles C4'-P-C4' energy: -13.051
flat angles P-C4'-P energy: -13.689
tors. eta vs tors. theta energy: -5.134
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 373
Temperature: 1.350000
Total energy: -102.932892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.932892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.932892 (E_RNA)
where:
Base-Base interactions energy: -36.349
where: short stacking energy: -36.349
Base-Backbone interact. energy: -0.078
local terms energy: -66.505682
where:
bonds (distance) C4'-P energy: -18.395
bonds (distance) P-C4' energy: -20.048
flat angles C4'-P-C4' energy: -14.925
flat angles P-C4'-P energy: -11.931
tors. eta vs tors. theta energy: -1.205
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 374
Temperature: 0.900000
Total energy: -340.723013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.723013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.723013 (E_RNA)
where:
Base-Base interactions energy: -237.403
where: short stacking energy: -91.160
Base-Backbone interact. energy: -1.413
local terms energy: -101.907104
where:
bonds (distance) C4'-P energy: -20.312
bonds (distance) P-C4' energy: -18.531
flat angles C4'-P-C4' energy: -21.905
flat angles P-C4'-P energy: -15.584
tors. eta vs tors. theta energy: -25.576
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 374
Temperature: 0.950000
Total energy: -344.691074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.691074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.691074 (E_RNA)
where:
Base-Base interactions energy: -243.931
where: short stacking energy: -99.669
Base-Backbone interact. energy: -0.511
local terms energy: -100.248717
where:
bonds (distance) C4'-P energy: -19.698
bonds (distance) P-C4' energy: -18.737
flat angles C4'-P-C4' energy: -22.594
flat angles P-C4'-P energy: -13.000
tors. eta vs tors. theta energy: -26.219
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 374
Temperature: 1.000000
Total energy: -339.174273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.174273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.174273 (E_RNA)
where:
Base-Base interactions energy: -238.020
where: short stacking energy: -99.647
Base-Backbone interact. energy: -0.467
local terms energy: -100.687980
where:
bonds (distance) C4'-P energy: -17.333
bonds (distance) P-C4' energy: -19.002
flat angles C4'-P-C4' energy: -21.795
flat angles P-C4'-P energy: -17.857
tors. eta vs tors. theta energy: -24.701
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 374
Temperature: 1.050000
Total energy: -284.443799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.443799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.443799 (E_RNA)
where:
Base-Base interactions energy: -196.728
where: short stacking energy: -82.585
Base-Backbone interact. energy: -0.233
local terms energy: -87.483170
where:
bonds (distance) C4'-P energy: -14.508
bonds (distance) P-C4' energy: -13.329
flat angles C4'-P-C4' energy: -20.413
flat angles P-C4'-P energy: -14.353
tors. eta vs tors. theta energy: -24.881
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 374
Temperature: 1.100000
Total energy: -256.616475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.616475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.616475 (E_RNA)
where:
Base-Base interactions energy: -169.840
where: short stacking energy: -76.908
Base-Backbone interact. energy: -0.456
local terms energy: -86.320796
where:
bonds (distance) C4'-P energy: -19.637
bonds (distance) P-C4' energy: -17.573
flat angles C4'-P-C4' energy: -21.547
flat angles P-C4'-P energy: -11.659
tors. eta vs tors. theta energy: -15.906
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 374
Temperature: 1.150000
Total energy: -245.766955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.766955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.766955 (E_RNA)
where:
Base-Base interactions energy: -160.547
where: short stacking energy: -71.189
Base-Backbone interact. energy: -0.073
local terms energy: -85.147123
where:
bonds (distance) C4'-P energy: -20.044
bonds (distance) P-C4' energy: -19.640
flat angles C4'-P-C4' energy: -16.263
flat angles P-C4'-P energy: -13.480
tors. eta vs tors. theta energy: -15.721
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 374
Temperature: 1.200000
Total energy: -244.420067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.420067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.420067 (E_RNA)
where:
Base-Base interactions energy: -156.892
where: short stacking energy: -84.448
Base-Backbone interact. energy: -1.096
local terms energy: -86.432670
where:
bonds (distance) C4'-P energy: -20.303
bonds (distance) P-C4' energy: -17.714
flat angles C4'-P-C4' energy: -17.802
flat angles P-C4'-P energy: -14.285
tors. eta vs tors. theta energy: -16.328
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 374
Temperature: 1.250000
Total energy: -213.299612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.299612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.299612 (E_RNA)
where:
Base-Base interactions energy: -137.231
where: short stacking energy: -65.514
Base-Backbone interact. energy: -0.494
local terms energy: -75.574632
where:
bonds (distance) C4'-P energy: -17.269
bonds (distance) P-C4' energy: -20.921
flat angles C4'-P-C4' energy: -10.372
flat angles P-C4'-P energy: -15.553
tors. eta vs tors. theta energy: -11.459
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 374
Temperature: 1.300000
Total energy: -107.208572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.208572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.208572 (E_RNA)
where:
Base-Base interactions energy: -49.724
where: short stacking energy: -42.990
Base-Backbone interact. energy: -0.050
local terms energy: -57.434965
where:
bonds (distance) C4'-P energy: -18.631
bonds (distance) P-C4' energy: -16.259
flat angles C4'-P-C4' energy: -13.630
flat angles P-C4'-P energy: -5.166
tors. eta vs tors. theta energy: -3.749
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 374
Temperature: 1.350000
Total energy: -98.834324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.834324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.834324 (E_RNA)
where:
Base-Base interactions energy: -39.243
where: short stacking energy: -33.605
Base-Backbone interact. energy: 0.971
local terms energy: -60.561779
where:
bonds (distance) C4'-P energy: -17.720
bonds (distance) P-C4' energy: -23.271
flat angles C4'-P-C4' energy: -13.459
flat angles P-C4'-P energy: -5.843
tors. eta vs tors. theta energy: -0.268
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 375
Temperature: 0.900000
Total energy: -331.170800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.170800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.170800 (E_RNA)
where:
Base-Base interactions energy: -232.806
where: short stacking energy: -96.197
Base-Backbone interact. energy: -0.239
local terms energy: -98.126392
where:
bonds (distance) C4'-P energy: -21.103
bonds (distance) P-C4' energy: -17.014
flat angles C4'-P-C4' energy: -18.480
flat angles P-C4'-P energy: -17.874
tors. eta vs tors. theta energy: -23.656
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 375
Temperature: 0.950000
Total energy: -343.133048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.133048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.133048 (E_RNA)
where:
Base-Base interactions energy: -249.050
where: short stacking energy: -99.172
Base-Backbone interact. energy: -0.322
local terms energy: -93.761184
where:
bonds (distance) C4'-P energy: -17.579
bonds (distance) P-C4' energy: -12.609
flat angles C4'-P-C4' energy: -23.277
flat angles P-C4'-P energy: -15.332
tors. eta vs tors. theta energy: -24.964
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 375
Temperature: 1.000000
Total energy: -343.439794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.439794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.439794 (E_RNA)
where:
Base-Base interactions energy: -250.543
where: short stacking energy: -99.585
Base-Backbone interact. energy: 0.325
local terms energy: -93.222032
where:
bonds (distance) C4'-P energy: -13.709
bonds (distance) P-C4' energy: -21.753
flat angles C4'-P-C4' energy: -20.347
flat angles P-C4'-P energy: -13.545
tors. eta vs tors. theta energy: -23.868
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 375
Temperature: 1.050000
Total energy: -279.489756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.489756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.489756 (E_RNA)
where:
Base-Base interactions energy: -181.048
where: short stacking energy: -73.795
Base-Backbone interact. energy: -0.234
local terms energy: -98.207503
where:
bonds (distance) C4'-P energy: -19.745
bonds (distance) P-C4' energy: -22.088
flat angles C4'-P-C4' energy: -23.293
flat angles P-C4'-P energy: -17.217
tors. eta vs tors. theta energy: -15.865
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 375
Temperature: 1.100000
Total energy: -263.789276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.789276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.789276 (E_RNA)
where:
Base-Base interactions energy: -177.637
where: short stacking energy: -82.775
Base-Backbone interact. energy: -0.710
local terms energy: -85.442273
where:
bonds (distance) C4'-P energy: -17.748
bonds (distance) P-C4' energy: -14.858
flat angles C4'-P-C4' energy: -18.963
flat angles P-C4'-P energy: -14.207
tors. eta vs tors. theta energy: -19.667
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 375
Temperature: 1.150000
Total energy: -239.354086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.354086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.354086 (E_RNA)
where:
Base-Base interactions energy: -151.475
where: short stacking energy: -71.865
Base-Backbone interact. energy: -0.507
local terms energy: -87.372806
where:
bonds (distance) C4'-P energy: -18.855
bonds (distance) P-C4' energy: -21.229
flat angles C4'-P-C4' energy: -23.044
flat angles P-C4'-P energy: -8.327
tors. eta vs tors. theta energy: -15.918
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 375
Temperature: 1.200000
Total energy: -236.461363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.461363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.461363 (E_RNA)
where:
Base-Base interactions energy: -156.980
where: short stacking energy: -77.511
Base-Backbone interact. energy: -0.011
local terms energy: -79.470667
where:
bonds (distance) C4'-P energy: -18.949
bonds (distance) P-C4' energy: -17.182
flat angles C4'-P-C4' energy: -18.149
flat angles P-C4'-P energy: -3.062
tors. eta vs tors. theta energy: -22.129
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 375
Temperature: 1.250000
Total energy: -223.228614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.228614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.228614 (E_RNA)
where:
Base-Base interactions energy: -144.799
where: short stacking energy: -66.325
Base-Backbone interact. energy: -0.048
local terms energy: -78.380646
where:
bonds (distance) C4'-P energy: -18.860
bonds (distance) P-C4' energy: -19.145
flat angles C4'-P-C4' energy: -14.592
flat angles P-C4'-P energy: -11.639
tors. eta vs tors. theta energy: -14.145
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 375
Temperature: 1.300000
Total energy: -105.681951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.681951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.681951 (E_RNA)
where:
Base-Base interactions energy: -45.675
where: short stacking energy: -27.423
Base-Backbone interact. energy: -0.049
local terms energy: -59.957974
where:
bonds (distance) C4'-P energy: -20.200
bonds (distance) P-C4' energy: -18.930
flat angles C4'-P-C4' energy: -16.018
flat angles P-C4'-P energy: -7.834
tors. eta vs tors. theta energy: 3.024
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 375
Temperature: 1.350000
Total energy: -103.216638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.216638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.216638 (E_RNA)
where:
Base-Base interactions energy: -41.818
where: short stacking energy: -36.898
Base-Backbone interact. energy: -1.434
local terms energy: -59.965052
where:
bonds (distance) C4'-P energy: -14.798
bonds (distance) P-C4' energy: -10.833
flat angles C4'-P-C4' energy: -17.588
flat angles P-C4'-P energy: -15.184
tors. eta vs tors. theta energy: -1.562
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 376
Temperature: 0.900000
Total energy: -342.390171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.390171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.390171 (E_RNA)
where:
Base-Base interactions energy: -245.232
where: short stacking energy: -98.805
Base-Backbone interact. energy: -0.477
local terms energy: -96.680486
where:
bonds (distance) C4'-P energy: -16.775
bonds (distance) P-C4' energy: -19.103
flat angles C4'-P-C4' energy: -23.491
flat angles P-C4'-P energy: -11.553
tors. eta vs tors. theta energy: -25.758
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 376
Temperature: 0.950000
Total energy: -320.996192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.996192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.996192 (E_RNA)
where:
Base-Base interactions energy: -223.565
where: short stacking energy: -91.223
Base-Backbone interact. energy: -0.093
local terms energy: -97.338764
where:
bonds (distance) C4'-P energy: -17.336
bonds (distance) P-C4' energy: -22.381
flat angles C4'-P-C4' energy: -17.641
flat angles P-C4'-P energy: -17.681
tors. eta vs tors. theta energy: -22.300
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 376
Temperature: 1.000000
Total energy: -341.102312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.102312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.102312 (E_RNA)
where:
Base-Base interactions energy: -238.986
where: short stacking energy: -103.008
Base-Backbone interact. energy: 0.169
local terms energy: -102.285274
where:
bonds (distance) C4'-P energy: -18.846
bonds (distance) P-C4' energy: -19.565
flat angles C4'-P-C4' energy: -17.586
flat angles P-C4'-P energy: -17.764
tors. eta vs tors. theta energy: -28.525
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 376
Temperature: 1.050000
Total energy: -300.833603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.833603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.833603 (E_RNA)
where:
Base-Base interactions energy: -204.047
where: short stacking energy: -83.322
Base-Backbone interact. energy: -0.213
local terms energy: -96.573808
where:
bonds (distance) C4'-P energy: -19.157
bonds (distance) P-C4' energy: -18.564
flat angles C4'-P-C4' energy: -22.586
flat angles P-C4'-P energy: -13.864
tors. eta vs tors. theta energy: -22.403
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 376
Temperature: 1.100000
Total energy: -250.455958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.455958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.455958 (E_RNA)
where:
Base-Base interactions energy: -171.396
where: short stacking energy: -61.933
Base-Backbone interact. energy: -0.534
local terms energy: -78.525528
where:
bonds (distance) C4'-P energy: -15.330
bonds (distance) P-C4' energy: -23.995
flat angles C4'-P-C4' energy: -14.545
flat angles P-C4'-P energy: -12.971
tors. eta vs tors. theta energy: -11.684
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 376
Temperature: 1.150000
Total energy: -244.037192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.037192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.037192 (E_RNA)
where:
Base-Base interactions energy: -164.852
where: short stacking energy: -80.139
Base-Backbone interact. energy: -0.306
local terms energy: -78.879363
where:
bonds (distance) C4'-P energy: -19.355
bonds (distance) P-C4' energy: -13.828
flat angles C4'-P-C4' energy: -13.420
flat angles P-C4'-P energy: -14.515
tors. eta vs tors. theta energy: -17.762
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 376
Temperature: 1.200000
Total energy: -233.532373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.532373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.532373 (E_RNA)
where:
Base-Base interactions energy: -149.144
where: short stacking energy: -63.973
Base-Backbone interact. energy: -0.218
local terms energy: -84.170456
where:
bonds (distance) C4'-P energy: -19.746
bonds (distance) P-C4' energy: -14.184
flat angles C4'-P-C4' energy: -14.502
flat angles P-C4'-P energy: -14.902
tors. eta vs tors. theta energy: -20.838
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 376
Temperature: 1.250000
Total energy: -235.629073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.629073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.629073 (E_RNA)
where:
Base-Base interactions energy: -159.459
where: short stacking energy: -68.211
Base-Backbone interact. energy: -0.184
local terms energy: -75.986968
where:
bonds (distance) C4'-P energy: -18.252
bonds (distance) P-C4' energy: -20.812
flat angles C4'-P-C4' energy: -19.843
flat angles P-C4'-P energy: -3.587
tors. eta vs tors. theta energy: -13.493
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 376
Temperature: 1.300000
Total energy: -106.313473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.313473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.313473 (E_RNA)
where:
Base-Base interactions energy: -35.865
where: short stacking energy: -29.192
Base-Backbone interact. energy: -0.410
local terms energy: -70.038817
where:
bonds (distance) C4'-P energy: -19.870
bonds (distance) P-C4' energy: -20.321
flat angles C4'-P-C4' energy: -16.517
flat angles P-C4'-P energy: -11.817
tors. eta vs tors. theta energy: -1.514
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 376
Temperature: 1.350000
Total energy: -109.196839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.196839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.196839 (E_RNA)
where:
Base-Base interactions energy: -48.231
where: short stacking energy: -44.255
Base-Backbone interact. energy: -0.721
local terms energy: -60.245072
where:
bonds (distance) C4'-P energy: -12.910
bonds (distance) P-C4' energy: -16.539
flat angles C4'-P-C4' energy: -13.523
flat angles P-C4'-P energy: -14.746
tors. eta vs tors. theta energy: -2.528
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 377
Temperature: 0.900000
Total energy: -350.198194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.198194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.198194 (E_RNA)
where:
Base-Base interactions energy: -244.248
where: short stacking energy: -103.973
Base-Backbone interact. energy: -0.864
local terms energy: -105.087039
where:
bonds (distance) C4'-P energy: -21.025
bonds (distance) P-C4' energy: -21.015
flat angles C4'-P-C4' energy: -20.246
flat angles P-C4'-P energy: -16.692
tors. eta vs tors. theta energy: -26.109
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 377
Temperature: 0.950000
Total energy: -348.518600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.518600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.518600 (E_RNA)
where:
Base-Base interactions energy: -253.673
where: short stacking energy: -94.090
Base-Backbone interact. energy: 0.557
local terms energy: -95.402132
where:
bonds (distance) C4'-P energy: -15.296
bonds (distance) P-C4' energy: -16.310
flat angles C4'-P-C4' energy: -19.509
flat angles P-C4'-P energy: -15.163
tors. eta vs tors. theta energy: -29.125
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 377
Temperature: 1.000000
Total energy: -324.337184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.337184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.337184 (E_RNA)
where:
Base-Base interactions energy: -228.035
where: short stacking energy: -101.708
Base-Backbone interact. energy: -0.472
local terms energy: -95.830069
where:
bonds (distance) C4'-P energy: -17.910
bonds (distance) P-C4' energy: -19.964
flat angles C4'-P-C4' energy: -19.839
flat angles P-C4'-P energy: -14.375
tors. eta vs tors. theta energy: -23.743
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 377
Temperature: 1.050000
Total energy: -287.407320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.407320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.407320 (E_RNA)
where:
Base-Base interactions energy: -194.045
where: short stacking energy: -83.723
Base-Backbone interact. energy: -0.555
local terms energy: -92.806762
where:
bonds (distance) C4'-P energy: -21.550
bonds (distance) P-C4' energy: -10.045
flat angles C4'-P-C4' energy: -22.753
flat angles P-C4'-P energy: -17.986
tors. eta vs tors. theta energy: -20.473
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 377
Temperature: 1.100000
Total energy: -247.964279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.964279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.964279 (E_RNA)
where:
Base-Base interactions energy: -157.929
where: short stacking energy: -76.622
Base-Backbone interact. energy: -0.273
local terms energy: -89.762378
where:
bonds (distance) C4'-P energy: -17.221
bonds (distance) P-C4' energy: -23.430
flat angles C4'-P-C4' energy: -17.674
flat angles P-C4'-P energy: -13.113
tors. eta vs tors. theta energy: -18.324
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 377
Temperature: 1.150000
Total energy: -207.803755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.803755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.803755 (E_RNA)
where:
Base-Base interactions energy: -131.472
where: short stacking energy: -55.959
Base-Backbone interact. energy: -1.398
local terms energy: -74.934265
where:
bonds (distance) C4'-P energy: -18.213
bonds (distance) P-C4' energy: -17.469
flat angles C4'-P-C4' energy: -11.899
flat angles P-C4'-P energy: -11.175
tors. eta vs tors. theta energy: -16.178
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 377
Temperature: 1.200000
Total energy: -236.022216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.022216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.022216 (E_RNA)
where:
Base-Base interactions energy: -157.134
where: short stacking energy: -67.730
Base-Backbone interact. energy: 0.220
local terms energy: -79.107423
where:
bonds (distance) C4'-P energy: -14.198
bonds (distance) P-C4' energy: -18.879
flat angles C4'-P-C4' energy: -19.527
flat angles P-C4'-P energy: -13.096
tors. eta vs tors. theta energy: -13.407
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 377
Temperature: 1.250000
Total energy: -234.279000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.279000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.279000 (E_RNA)
where:
Base-Base interactions energy: -156.579
where: short stacking energy: -65.410
Base-Backbone interact. energy: 0.276
local terms energy: -77.975788
where:
bonds (distance) C4'-P energy: -18.362
bonds (distance) P-C4' energy: -19.364
flat angles C4'-P-C4' energy: -14.646
flat angles P-C4'-P energy: -10.138
tors. eta vs tors. theta energy: -15.466
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 377
Temperature: 1.300000
Total energy: -120.228857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.228857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.228857 (E_RNA)
where:
Base-Base interactions energy: -62.370
where: short stacking energy: -42.233
Base-Backbone interact. energy: -1.310
local terms energy: -56.549083
where:
bonds (distance) C4'-P energy: -10.306
bonds (distance) P-C4' energy: -11.050
flat angles C4'-P-C4' energy: -15.317
flat angles P-C4'-P energy: -12.903
tors. eta vs tors. theta energy: -6.973
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 377
Temperature: 1.350000
Total energy: -96.234726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.234726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.234726 (E_RNA)
where:
Base-Base interactions energy: -39.102
where: short stacking energy: -35.278
Base-Backbone interact. energy: -0.590
local terms energy: -56.543156
where:
bonds (distance) C4'-P energy: -9.917
bonds (distance) P-C4' energy: -19.841
flat angles C4'-P-C4' energy: -21.483
flat angles P-C4'-P energy: -3.295
tors. eta vs tors. theta energy: -2.008
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 378
Temperature: 0.900000
Total energy: -351.046360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.046360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.046360 (E_RNA)
where:
Base-Base interactions energy: -246.836
where: short stacking energy: -95.076
Base-Backbone interact. energy: -0.603
local terms energy: -103.606682
where:
bonds (distance) C4'-P energy: -19.930
bonds (distance) P-C4' energy: -22.148
flat angles C4'-P-C4' energy: -23.061
flat angles P-C4'-P energy: -14.655
tors. eta vs tors. theta energy: -23.813
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 378
Temperature: 0.950000
Total energy: -354.806196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.806196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.806196 (E_RNA)
where:
Base-Base interactions energy: -253.987
where: short stacking energy: -105.006
Base-Backbone interact. energy: 0.283
local terms energy: -101.101271
where:
bonds (distance) C4'-P energy: -17.482
bonds (distance) P-C4' energy: -18.122
flat angles C4'-P-C4' energy: -21.154
flat angles P-C4'-P energy: -17.146
tors. eta vs tors. theta energy: -27.198
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 378
Temperature: 1.000000
Total energy: -314.199273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.199273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.199273 (E_RNA)
where:
Base-Base interactions energy: -226.883
where: short stacking energy: -93.892
Base-Backbone interact. energy: -0.766
local terms energy: -86.551010
where:
bonds (distance) C4'-P energy: -18.191
bonds (distance) P-C4' energy: -14.068
flat angles C4'-P-C4' energy: -19.233
flat angles P-C4'-P energy: -11.358
tors. eta vs tors. theta energy: -23.701
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 378
Temperature: 1.050000
Total energy: -306.184949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.184949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.184949 (E_RNA)
where:
Base-Base interactions energy: -207.878
where: short stacking energy: -95.734
Base-Backbone interact. energy: -0.270
local terms energy: -98.037519
where:
bonds (distance) C4'-P energy: -19.385
bonds (distance) P-C4' energy: -18.813
flat angles C4'-P-C4' energy: -22.252
flat angles P-C4'-P energy: -12.203
tors. eta vs tors. theta energy: -25.385
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 378
Temperature: 1.100000
Total energy: -262.986966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.986966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.986966 (E_RNA)
where:
Base-Base interactions energy: -172.176
where: short stacking energy: -74.589
Base-Backbone interact. energy: -0.176
local terms energy: -90.634261
where:
bonds (distance) C4'-P energy: -19.156
bonds (distance) P-C4' energy: -19.978
flat angles C4'-P-C4' energy: -22.566
flat angles P-C4'-P energy: -11.586
tors. eta vs tors. theta energy: -17.347
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 378
Temperature: 1.150000
Total energy: -230.017727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.017727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.017727 (E_RNA)
where:
Base-Base interactions energy: -149.048
where: short stacking energy: -77.513
Base-Backbone interact. energy: -0.157
local terms energy: -80.813170
where:
bonds (distance) C4'-P energy: -16.553
bonds (distance) P-C4' energy: -15.720
flat angles C4'-P-C4' energy: -18.266
flat angles P-C4'-P energy: -13.565
tors. eta vs tors. theta energy: -16.709
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 378
Temperature: 1.200000
Total energy: -235.651241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.651241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.651241 (E_RNA)
where:
Base-Base interactions energy: -161.245
where: short stacking energy: -81.787
Base-Backbone interact. energy: 1.001
local terms energy: -75.407383
where:
bonds (distance) C4'-P energy: -12.454
bonds (distance) P-C4' energy: -13.171
flat angles C4'-P-C4' energy: -17.740
flat angles P-C4'-P energy: -15.559
tors. eta vs tors. theta energy: -16.484
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 378
Temperature: 1.250000
Total energy: -236.296469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.296469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.296469 (E_RNA)
where:
Base-Base interactions energy: -152.215
where: short stacking energy: -71.194
Base-Backbone interact. energy: -0.240
local terms energy: -83.840741
where:
bonds (distance) C4'-P energy: -14.503
bonds (distance) P-C4' energy: -20.473
flat angles C4'-P-C4' energy: -20.072
flat angles P-C4'-P energy: -12.318
tors. eta vs tors. theta energy: -16.474
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 378
Temperature: 1.300000
Total energy: -115.021597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.021597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.021597 (E_RNA)
where:
Base-Base interactions energy: -48.832
where: short stacking energy: -45.710
Base-Backbone interact. energy: -0.074
local terms energy: -66.115898
where:
bonds (distance) C4'-P energy: -14.360
bonds (distance) P-C4' energy: -19.472
flat angles C4'-P-C4' energy: -13.432
flat angles P-C4'-P energy: -11.590
tors. eta vs tors. theta energy: -7.262
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 378
Temperature: 1.350000
Total energy: -113.257740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.257740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.257740 (E_RNA)
where:
Base-Base interactions energy: -56.365
where: short stacking energy: -38.426
Base-Backbone interact. energy: -0.128
local terms energy: -56.765048
where:
bonds (distance) C4'-P energy: -11.733
bonds (distance) P-C4' energy: -8.790
flat angles C4'-P-C4' energy: -19.238
flat angles P-C4'-P energy: -8.146
tors. eta vs tors. theta energy: -8.858
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 379
Temperature: 0.900000
Total energy: -350.681764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.681764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.681764 (E_RNA)
where:
Base-Base interactions energy: -247.996
where: short stacking energy: -98.510
Base-Backbone interact. energy: -0.895
local terms energy: -101.791355
where:
bonds (distance) C4'-P energy: -21.937
bonds (distance) P-C4' energy: -20.443
flat angles C4'-P-C4' energy: -21.681
flat angles P-C4'-P energy: -10.351
tors. eta vs tors. theta energy: -27.380
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 379
Temperature: 0.950000
Total energy: -347.025265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.025265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.025265 (E_RNA)
where:
Base-Base interactions energy: -250.642
where: short stacking energy: -96.229
Base-Backbone interact. energy: 0.362
local terms energy: -96.745836
where:
bonds (distance) C4'-P energy: -21.256
bonds (distance) P-C4' energy: -21.602
flat angles C4'-P-C4' energy: -18.378
flat angles P-C4'-P energy: -12.470
tors. eta vs tors. theta energy: -23.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 379
Temperature: 1.000000
Total energy: -302.508522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.508522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.508522 (E_RNA)
where:
Base-Base interactions energy: -211.539
where: short stacking energy: -88.580
Base-Backbone interact. energy: -0.253
local terms energy: -90.716506
where:
bonds (distance) C4'-P energy: -19.409
bonds (distance) P-C4' energy: -17.926
flat angles C4'-P-C4' energy: -23.565
flat angles P-C4'-P energy: -9.951
tors. eta vs tors. theta energy: -19.865
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 379
Temperature: 1.050000
Total energy: -286.701100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.701100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.701100 (E_RNA)
where:
Base-Base interactions energy: -195.695
where: short stacking energy: -93.158
Base-Backbone interact. energy: -0.047
local terms energy: -90.959744
where:
bonds (distance) C4'-P energy: -14.595
bonds (distance) P-C4' energy: -18.348
flat angles C4'-P-C4' energy: -19.534
flat angles P-C4'-P energy: -14.870
tors. eta vs tors. theta energy: -23.612
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 379
Temperature: 1.100000
Total energy: -251.169313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.169313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.169313 (E_RNA)
where:
Base-Base interactions energy: -165.095
where: short stacking energy: -80.829
Base-Backbone interact. energy: -0.639
local terms energy: -85.434924
where:
bonds (distance) C4'-P energy: -18.316
bonds (distance) P-C4' energy: -15.912
flat angles C4'-P-C4' energy: -15.620
flat angles P-C4'-P energy: -15.552
tors. eta vs tors. theta energy: -20.035
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 379
Temperature: 1.150000
Total energy: -249.702906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.702906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.702906 (E_RNA)
where:
Base-Base interactions energy: -169.710
where: short stacking energy: -62.175
Base-Backbone interact. energy: -0.602
local terms energy: -79.391175
where:
bonds (distance) C4'-P energy: -16.438
bonds (distance) P-C4' energy: -18.842
flat angles C4'-P-C4' energy: -20.040
flat angles P-C4'-P energy: -10.085
tors. eta vs tors. theta energy: -13.988
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 379
Temperature: 1.200000
Total energy: -245.517108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.517108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.517108 (E_RNA)
where:
Base-Base interactions energy: -155.451
where: short stacking energy: -82.742
Base-Backbone interact. energy: -0.156
local terms energy: -89.911081
where:
bonds (distance) C4'-P energy: -18.171
bonds (distance) P-C4' energy: -18.826
flat angles C4'-P-C4' energy: -20.827
flat angles P-C4'-P energy: -11.580
tors. eta vs tors. theta energy: -20.507
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 379
Temperature: 1.250000
Total energy: -223.295741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.295741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.295741 (E_RNA)
where:
Base-Base interactions energy: -154.584
where: short stacking energy: -60.927
Base-Backbone interact. energy: -0.121
local terms energy: -68.590901
where:
bonds (distance) C4'-P energy: -15.831
bonds (distance) P-C4' energy: -9.660
flat angles C4'-P-C4' energy: -16.415
flat angles P-C4'-P energy: -10.601
tors. eta vs tors. theta energy: -16.084
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 379
Temperature: 1.300000
Total energy: -107.407041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.407041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.407041 (E_RNA)
where:
Base-Base interactions energy: -56.243
where: short stacking energy: -39.019
Base-Backbone interact. energy: -0.468
local terms energy: -50.696741
where:
bonds (distance) C4'-P energy: -17.257
bonds (distance) P-C4' energy: -13.754
flat angles C4'-P-C4' energy: -8.851
flat angles P-C4'-P energy: -13.024
tors. eta vs tors. theta energy: 2.189
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 379
Temperature: 1.350000
Total energy: -113.981289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.981289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.981289 (E_RNA)
where:
Base-Base interactions energy: -44.799
where: short stacking energy: -28.203
Base-Backbone interact. energy: -0.155
local terms energy: -69.027539
where:
bonds (distance) C4'-P energy: -17.078
bonds (distance) P-C4' energy: -20.753
flat angles C4'-P-C4' energy: -21.021
flat angles P-C4'-P energy: -9.165
tors. eta vs tors. theta energy: -1.010
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 380
Temperature: 0.900000
Total energy: -351.512299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.512299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.512299 (E_RNA)
where:
Base-Base interactions energy: -254.126
where: short stacking energy: -101.005
Base-Backbone interact. energy: -1.095
local terms energy: -96.290443
where:
bonds (distance) C4'-P energy: -16.686
bonds (distance) P-C4' energy: -21.437
flat angles C4'-P-C4' energy: -20.556
flat angles P-C4'-P energy: -11.520
tors. eta vs tors. theta energy: -26.091
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 380
Temperature: 0.950000
Total energy: -352.284595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.284595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.284595 (E_RNA)
where:
Base-Base interactions energy: -257.743
where: short stacking energy: -105.401
Base-Backbone interact. energy: 0.578
local terms energy: -95.119056
where:
bonds (distance) C4'-P energy: -13.245
bonds (distance) P-C4' energy: -16.733
flat angles C4'-P-C4' energy: -22.970
flat angles P-C4'-P energy: -14.099
tors. eta vs tors. theta energy: -28.071
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 380
Temperature: 1.000000
Total energy: -318.565218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.565218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.565218 (E_RNA)
where:
Base-Base interactions energy: -226.302
where: short stacking energy: -101.267
Base-Backbone interact. energy: -1.687
local terms energy: -90.575917
where:
bonds (distance) C4'-P energy: -18.233
bonds (distance) P-C4' energy: -11.340
flat angles C4'-P-C4' energy: -21.204
flat angles P-C4'-P energy: -12.503
tors. eta vs tors. theta energy: -27.295
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 380
Temperature: 1.050000
Total energy: -311.073390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.073390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.073390 (E_RNA)
where:
Base-Base interactions energy: -213.591
where: short stacking energy: -96.535
Base-Backbone interact. energy: -0.076
local terms energy: -97.406392
where:
bonds (distance) C4'-P energy: -22.411
bonds (distance) P-C4' energy: -18.750
flat angles C4'-P-C4' energy: -16.488
flat angles P-C4'-P energy: -16.303
tors. eta vs tors. theta energy: -23.454
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 380
Temperature: 1.100000
Total energy: -257.934064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.934064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.934064 (E_RNA)
where:
Base-Base interactions energy: -178.694
where: short stacking energy: -79.191
Base-Backbone interact. energy: -0.659
local terms energy: -78.580197
where:
bonds (distance) C4'-P energy: -14.076
bonds (distance) P-C4' energy: -14.562
flat angles C4'-P-C4' energy: -20.121
flat angles P-C4'-P energy: -12.985
tors. eta vs tors. theta energy: -16.836
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 380
Temperature: 1.150000
Total energy: -279.674490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.674490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.674490 (E_RNA)
where:
Base-Base interactions energy: -184.465
where: short stacking energy: -83.624
Base-Backbone interact. energy: 0.168
local terms energy: -95.378107
where:
bonds (distance) C4'-P energy: -17.865
bonds (distance) P-C4' energy: -19.102
flat angles C4'-P-C4' energy: -21.622
flat angles P-C4'-P energy: -14.269
tors. eta vs tors. theta energy: -22.520
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 380
Temperature: 1.200000
Total energy: -239.136816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.136816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.136816 (E_RNA)
where:
Base-Base interactions energy: -153.192
where: short stacking energy: -69.818
Base-Backbone interact. energy: -0.153
local terms energy: -85.791794
where:
bonds (distance) C4'-P energy: -20.204
bonds (distance) P-C4' energy: -17.421
flat angles C4'-P-C4' energy: -20.751
flat angles P-C4'-P energy: -8.765
tors. eta vs tors. theta energy: -18.651
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 380
Temperature: 1.250000
Total energy: -244.299971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.299971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.299971 (E_RNA)
where:
Base-Base interactions energy: -157.325
where: short stacking energy: -62.330
Base-Backbone interact. energy: -0.481
local terms energy: -86.493885
where:
bonds (distance) C4'-P energy: -18.870
bonds (distance) P-C4' energy: -22.419
flat angles C4'-P-C4' energy: -19.918
flat angles P-C4'-P energy: -10.768
tors. eta vs tors. theta energy: -14.519
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 380
Temperature: 1.300000
Total energy: -113.784222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.784222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.784222 (E_RNA)
where:
Base-Base interactions energy: -42.625
where: short stacking energy: -42.625
Base-Backbone interact. energy: 1.721
local terms energy: -72.880197
where:
bonds (distance) C4'-P energy: -14.388
bonds (distance) P-C4' energy: -24.343
flat angles C4'-P-C4' energy: -17.485
flat angles P-C4'-P energy: -12.984
tors. eta vs tors. theta energy: -3.681
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 380
Temperature: 1.350000
Total energy: -99.417744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.417744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.417744 (E_RNA)
where:
Base-Base interactions energy: -42.127
where: short stacking energy: -31.695
Base-Backbone interact. energy: -0.726
local terms energy: -56.564768
where:
bonds (distance) C4'-P energy: -17.364
bonds (distance) P-C4' energy: -20.776
flat angles C4'-P-C4' energy: -10.548
flat angles P-C4'-P energy: -8.679
tors. eta vs tors. theta energy: 0.801
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 381
Temperature: 0.900000
Total energy: -350.265454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.265454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.265454 (E_RNA)
where:
Base-Base interactions energy: -243.939
where: short stacking energy: -98.935
Base-Backbone interact. energy: -1.083
local terms energy: -105.243109
where:
bonds (distance) C4'-P energy: -20.200
bonds (distance) P-C4' energy: -20.897
flat angles C4'-P-C4' energy: -22.679
flat angles P-C4'-P energy: -16.529
tors. eta vs tors. theta energy: -24.937
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 381
Temperature: 0.950000
Total energy: -357.805703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.805703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.805703 (E_RNA)
where:
Base-Base interactions energy: -254.719
where: short stacking energy: -99.886
Base-Backbone interact. energy: -0.549
local terms energy: -102.538483
where:
bonds (distance) C4'-P energy: -20.163
bonds (distance) P-C4' energy: -19.166
flat angles C4'-P-C4' energy: -21.576
flat angles P-C4'-P energy: -13.555
tors. eta vs tors. theta energy: -28.078
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 381
Temperature: 1.000000
Total energy: -314.415152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.415152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.415152 (E_RNA)
where:
Base-Base interactions energy: -217.857
where: short stacking energy: -86.403
Base-Backbone interact. energy: -0.424
local terms energy: -96.133719
where:
bonds (distance) C4'-P energy: -14.346
bonds (distance) P-C4' energy: -21.226
flat angles C4'-P-C4' energy: -21.892
flat angles P-C4'-P energy: -13.523
tors. eta vs tors. theta energy: -25.146
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 381
Temperature: 1.050000
Total energy: -305.028940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.028940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.028940 (E_RNA)
where:
Base-Base interactions energy: -213.649
where: short stacking energy: -93.579
Base-Backbone interact. energy: -0.019
local terms energy: -91.360623
where:
bonds (distance) C4'-P energy: -17.249
bonds (distance) P-C4' energy: -19.425
flat angles C4'-P-C4' energy: -19.727
flat angles P-C4'-P energy: -7.521
tors. eta vs tors. theta energy: -27.439
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 381
Temperature: 1.100000
Total energy: -254.268150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.268150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.268150 (E_RNA)
where:
Base-Base interactions energy: -165.025
where: short stacking energy: -67.202
Base-Backbone interact. energy: 0.057
local terms energy: -89.299485
where:
bonds (distance) C4'-P energy: -17.991
bonds (distance) P-C4' energy: -20.554
flat angles C4'-P-C4' energy: -19.328
flat angles P-C4'-P energy: -14.133
tors. eta vs tors. theta energy: -17.294
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 381
Temperature: 1.150000
Total energy: -270.948753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.948753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.948753 (E_RNA)
where:
Base-Base interactions energy: -186.094
where: short stacking energy: -86.073
Base-Backbone interact. energy: -0.313
local terms energy: -84.542277
where:
bonds (distance) C4'-P energy: -18.963
bonds (distance) P-C4' energy: -18.860
flat angles C4'-P-C4' energy: -16.481
flat angles P-C4'-P energy: -10.959
tors. eta vs tors. theta energy: -19.279
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 381
Temperature: 1.200000
Total energy: -214.914575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.914575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.914575 (E_RNA)
where:
Base-Base interactions energy: -143.889
where: short stacking energy: -89.527
Base-Backbone interact. energy: -0.824
local terms energy: -70.201034
where:
bonds (distance) C4'-P energy: -15.931
bonds (distance) P-C4' energy: -15.636
flat angles C4'-P-C4' energy: -18.653
flat angles P-C4'-P energy: -1.383
tors. eta vs tors. theta energy: -18.597
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 381
Temperature: 1.250000
Total energy: -230.224002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.224002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.224002 (E_RNA)
where:
Base-Base interactions energy: -148.825
where: short stacking energy: -58.324
Base-Backbone interact. energy: 0.434
local terms energy: -81.833507
where:
bonds (distance) C4'-P energy: -14.142
bonds (distance) P-C4' energy: -22.008
flat angles C4'-P-C4' energy: -19.327
flat angles P-C4'-P energy: -10.364
tors. eta vs tors. theta energy: -15.994
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 381
Temperature: 1.300000
Total energy: -100.022529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.022529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.022529 (E_RNA)
where:
Base-Base interactions energy: -41.486
where: short stacking energy: -33.102
Base-Backbone interact. energy: -0.190
local terms energy: -58.346433
where:
bonds (distance) C4'-P energy: -15.041
bonds (distance) P-C4' energy: -18.290
flat angles C4'-P-C4' energy: -10.647
flat angles P-C4'-P energy: -6.679
tors. eta vs tors. theta energy: -7.689
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 381
Temperature: 1.350000
Total energy: -107.898033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.898033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.898033 (E_RNA)
where:
Base-Base interactions energy: -41.768
where: short stacking energy: -36.577
Base-Backbone interact. energy: -0.078
local terms energy: -66.051990
where:
bonds (distance) C4'-P energy: -20.253
bonds (distance) P-C4' energy: -18.858
flat angles C4'-P-C4' energy: -10.388
flat angles P-C4'-P energy: -15.379
tors. eta vs tors. theta energy: -1.174
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 382
Temperature: 0.900000
Total energy: -347.303061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.303061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.303061 (E_RNA)
where:
Base-Base interactions energy: -253.613
where: short stacking energy: -102.037
Base-Backbone interact. energy: -0.486
local terms energy: -93.203895
where:
bonds (distance) C4'-P energy: -19.989
bonds (distance) P-C4' energy: -17.625
flat angles C4'-P-C4' energy: -19.726
flat angles P-C4'-P energy: -13.036
tors. eta vs tors. theta energy: -22.827
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 382
Temperature: 0.950000
Total energy: -355.079435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.079435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.079435 (E_RNA)
where:
Base-Base interactions energy: -252.551
where: short stacking energy: -101.371
Base-Backbone interact. energy: -0.587
local terms energy: -101.941222
where:
bonds (distance) C4'-P energy: -18.448
bonds (distance) P-C4' energy: -19.443
flat angles C4'-P-C4' energy: -20.547
flat angles P-C4'-P energy: -16.203
tors. eta vs tors. theta energy: -27.300
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 382
Temperature: 1.000000
Total energy: -298.748714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.748714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.748714 (E_RNA)
where:
Base-Base interactions energy: -208.320
where: short stacking energy: -89.735
Base-Backbone interact. energy: -0.589
local terms energy: -89.839560
where:
bonds (distance) C4'-P energy: -21.760
bonds (distance) P-C4' energy: -21.599
flat angles C4'-P-C4' energy: -12.389
flat angles P-C4'-P energy: -9.056
tors. eta vs tors. theta energy: -25.035
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 382
Temperature: 1.050000
Total energy: -326.455784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.455784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.455784 (E_RNA)
where:
Base-Base interactions energy: -232.855
where: short stacking energy: -93.388
Base-Backbone interact. energy: -0.449
local terms energy: -93.152270
where:
bonds (distance) C4'-P energy: -17.994
bonds (distance) P-C4' energy: -21.617
flat angles C4'-P-C4' energy: -21.084
flat angles P-C4'-P energy: -9.779
tors. eta vs tors. theta energy: -22.678
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 382
Temperature: 1.100000
Total energy: -255.685348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.685348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.685348 (E_RNA)
where:
Base-Base interactions energy: -168.909
where: short stacking energy: -72.078
Base-Backbone interact. energy: -0.406
local terms energy: -86.370312
where:
bonds (distance) C4'-P energy: -15.869
bonds (distance) P-C4' energy: -21.180
flat angles C4'-P-C4' energy: -19.223
flat angles P-C4'-P energy: -13.067
tors. eta vs tors. theta energy: -17.032
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 382
Temperature: 1.150000
Total energy: -238.069974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.069974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.069974 (E_RNA)
where:
Base-Base interactions energy: -159.199
where: short stacking energy: -69.676
Base-Backbone interact. energy: -0.142
local terms energy: -78.728878
where:
bonds (distance) C4'-P energy: -20.965
bonds (distance) P-C4' energy: -16.380
flat angles C4'-P-C4' energy: -13.828
flat angles P-C4'-P energy: -15.469
tors. eta vs tors. theta energy: -12.087
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 382
Temperature: 1.200000
Total energy: -222.336956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.336956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.336956 (E_RNA)
where:
Base-Base interactions energy: -142.043
where: short stacking energy: -66.890
Base-Backbone interact. energy: -0.713
local terms energy: -79.580285
where:
bonds (distance) C4'-P energy: -16.308
bonds (distance) P-C4' energy: -18.469
flat angles C4'-P-C4' energy: -16.978
flat angles P-C4'-P energy: -13.091
tors. eta vs tors. theta energy: -14.734
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 382
Temperature: 1.250000
Total energy: -210.447196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.447196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.447196 (E_RNA)
where:
Base-Base interactions energy: -124.366
where: short stacking energy: -70.939
Base-Backbone interact. energy: -0.109
local terms energy: -85.971753
where:
bonds (distance) C4'-P energy: -16.640
bonds (distance) P-C4' energy: -17.016
flat angles C4'-P-C4' energy: -20.671
flat angles P-C4'-P energy: -12.531
tors. eta vs tors. theta energy: -19.113
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 382
Temperature: 1.300000
Total energy: -125.681928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.681928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.681928 (E_RNA)
where:
Base-Base interactions energy: -61.107
where: short stacking energy: -37.044
Base-Backbone interact. energy: -0.521
local terms energy: -64.053565
where:
bonds (distance) C4'-P energy: -16.231
bonds (distance) P-C4' energy: -20.272
flat angles C4'-P-C4' energy: -16.410
flat angles P-C4'-P energy: -10.783
tors. eta vs tors. theta energy: -0.358
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 382
Temperature: 1.350000
Total energy: -92.798670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.798670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.798670 (E_RNA)
where:
Base-Base interactions energy: -35.412
where: short stacking energy: -19.243
Base-Backbone interact. energy: -1.681
local terms energy: -55.704845
where:
bonds (distance) C4'-P energy: -16.983
bonds (distance) P-C4' energy: -18.889
flat angles C4'-P-C4' energy: -15.708
flat angles P-C4'-P energy: -8.878
tors. eta vs tors. theta energy: 4.753
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 383
Temperature: 0.900000
Total energy: -349.156336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.156336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.156336 (E_RNA)
where:
Base-Base interactions energy: -253.185
where: short stacking energy: -96.767
Base-Backbone interact. energy: -1.771
local terms energy: -94.199502
where:
bonds (distance) C4'-P energy: -14.996
bonds (distance) P-C4' energy: -23.343
flat angles C4'-P-C4' energy: -19.542
flat angles P-C4'-P energy: -15.583
tors. eta vs tors. theta energy: -20.735
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 383
Temperature: 0.950000
Total energy: -349.153445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.153445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.153445 (E_RNA)
where:
Base-Base interactions energy: -250.908
where: short stacking energy: -96.552
Base-Backbone interact. energy: -0.286
local terms energy: -97.959548
where:
bonds (distance) C4'-P energy: -16.876
bonds (distance) P-C4' energy: -18.432
flat angles C4'-P-C4' energy: -20.621
flat angles P-C4'-P energy: -17.407
tors. eta vs tors. theta energy: -24.624
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 383
Temperature: 1.000000
Total energy: -300.114067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.114067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.114067 (E_RNA)
where:
Base-Base interactions energy: -203.274
where: short stacking energy: -88.393
Base-Backbone interact. energy: -0.382
local terms energy: -96.457667
where:
bonds (distance) C4'-P energy: -16.033
bonds (distance) P-C4' energy: -23.740
flat angles C4'-P-C4' energy: -21.313
flat angles P-C4'-P energy: -10.436
tors. eta vs tors. theta energy: -24.935
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 383
Temperature: 1.050000
Total energy: -311.207153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.207153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.207153 (E_RNA)
where:
Base-Base interactions energy: -216.307
where: short stacking energy: -89.057
Base-Backbone interact. energy: -0.976
local terms energy: -93.924237
where:
bonds (distance) C4'-P energy: -13.625
bonds (distance) P-C4' energy: -19.808
flat angles C4'-P-C4' energy: -23.292
flat angles P-C4'-P energy: -11.582
tors. eta vs tors. theta energy: -25.617
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 383
Temperature: 1.100000
Total energy: -256.959145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.959145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.959145 (E_RNA)
where:
Base-Base interactions energy: -175.814
where: short stacking energy: -66.674
Base-Backbone interact. energy: -0.312
local terms energy: -80.833362
where:
bonds (distance) C4'-P energy: -18.494
bonds (distance) P-C4' energy: -20.919
flat angles C4'-P-C4' energy: -19.586
flat angles P-C4'-P energy: -12.076
tors. eta vs tors. theta energy: -9.759
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 383
Temperature: 1.150000
Total energy: -237.850235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.850235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.850235 (E_RNA)
where:
Base-Base interactions energy: -156.316
where: short stacking energy: -77.013
Base-Backbone interact. energy: -0.195
local terms energy: -81.338545
where:
bonds (distance) C4'-P energy: -18.934
bonds (distance) P-C4' energy: -14.489
flat angles C4'-P-C4' energy: -15.977
flat angles P-C4'-P energy: -13.060
tors. eta vs tors. theta energy: -18.879
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 383
Temperature: 1.200000
Total energy: -240.606381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.606381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.606381 (E_RNA)
where:
Base-Base interactions energy: -159.980
where: short stacking energy: -67.177
Base-Backbone interact. energy: -0.158
local terms energy: -80.468084
where:
bonds (distance) C4'-P energy: -18.644
bonds (distance) P-C4' energy: -16.902
flat angles C4'-P-C4' energy: -18.641
flat angles P-C4'-P energy: -9.790
tors. eta vs tors. theta energy: -16.491
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 383
Temperature: 1.250000
Total energy: -205.676117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.676117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.676117 (E_RNA)
where:
Base-Base interactions energy: -129.480
where: short stacking energy: -71.744
Base-Backbone interact. energy: 1.609
local terms energy: -77.805377
where:
bonds (distance) C4'-P energy: -15.555
bonds (distance) P-C4' energy: -17.654
flat angles C4'-P-C4' energy: -18.015
flat angles P-C4'-P energy: -8.664
tors. eta vs tors. theta energy: -17.917
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 383
Temperature: 1.300000
Total energy: -119.447121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.447121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.447121 (E_RNA)
where:
Base-Base interactions energy: -50.383
where: short stacking energy: -28.249
Base-Backbone interact. energy: -0.560
local terms energy: -68.504928
where:
bonds (distance) C4'-P energy: -17.332
bonds (distance) P-C4' energy: -20.416
flat angles C4'-P-C4' energy: -16.224
flat angles P-C4'-P energy: -12.109
tors. eta vs tors. theta energy: -2.424
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 383
Temperature: 1.350000
Total energy: -112.957341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.957341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.957341 (E_RNA)
where:
Base-Base interactions energy: -48.159
where: short stacking energy: -36.632
Base-Backbone interact. energy: 1.124
local terms energy: -65.922255
where:
bonds (distance) C4'-P energy: -13.816
bonds (distance) P-C4' energy: -18.983
flat angles C4'-P-C4' energy: -19.931
flat angles P-C4'-P energy: -10.843
tors. eta vs tors. theta energy: -2.349
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 384
Temperature: 0.900000
Total energy: -356.155962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.155962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.155962 (E_RNA)
where:
Base-Base interactions energy: -259.858
where: short stacking energy: -107.782
Base-Backbone interact. energy: -0.470
local terms energy: -95.827690
where:
bonds (distance) C4'-P energy: -18.979
bonds (distance) P-C4' energy: -15.487
flat angles C4'-P-C4' energy: -21.732
flat angles P-C4'-P energy: -12.517
tors. eta vs tors. theta energy: -27.112
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 384
Temperature: 0.950000
Total energy: -341.712289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.712289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.712289 (E_RNA)
where:
Base-Base interactions energy: -242.275
where: short stacking energy: -101.265
Base-Backbone interact. energy: -0.863
local terms energy: -98.574853
where:
bonds (distance) C4'-P energy: -17.401
bonds (distance) P-C4' energy: -19.897
flat angles C4'-P-C4' energy: -21.047
flat angles P-C4'-P energy: -16.273
tors. eta vs tors. theta energy: -23.957
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 384
Temperature: 1.000000
Total energy: -320.693524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.693524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.693524 (E_RNA)
where:
Base-Base interactions energy: -223.061
where: short stacking energy: -95.299
Base-Backbone interact. energy: 0.861
local terms energy: -98.493437
where:
bonds (distance) C4'-P energy: -19.522
bonds (distance) P-C4' energy: -18.376
flat angles C4'-P-C4' energy: -20.452
flat angles P-C4'-P energy: -17.333
tors. eta vs tors. theta energy: -22.811
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 384
Temperature: 1.050000
Total energy: -251.876270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.876270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.876270 (E_RNA)
where:
Base-Base interactions energy: -171.707
where: short stacking energy: -79.695
Base-Backbone interact. energy: -0.918
local terms energy: -79.251130
where:
bonds (distance) C4'-P energy: -13.514
bonds (distance) P-C4' energy: -20.410
flat angles C4'-P-C4' energy: -18.660
flat angles P-C4'-P energy: -7.485
tors. eta vs tors. theta energy: -19.182
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 384
Temperature: 1.100000
Total energy: -258.056372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.056372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.056372 (E_RNA)
where:
Base-Base interactions energy: -175.584
where: short stacking energy: -76.738
Base-Backbone interact. energy: -0.240
local terms energy: -82.232313
where:
bonds (distance) C4'-P energy: -16.586
bonds (distance) P-C4' energy: -17.350
flat angles C4'-P-C4' energy: -18.575
flat angles P-C4'-P energy: -12.381
tors. eta vs tors. theta energy: -17.340
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 384
Temperature: 1.150000
Total energy: -247.246794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.246794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.246794 (E_RNA)
where:
Base-Base interactions energy: -164.593
where: short stacking energy: -71.815
Base-Backbone interact. energy: -1.501
local terms energy: -81.151999
where:
bonds (distance) C4'-P energy: -17.384
bonds (distance) P-C4' energy: -17.793
flat angles C4'-P-C4' energy: -20.612
flat angles P-C4'-P energy: -8.963
tors. eta vs tors. theta energy: -16.401
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 384
Temperature: 1.200000
Total energy: -248.896573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.896573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.896573 (E_RNA)
where:
Base-Base interactions energy: -174.051
where: short stacking energy: -61.888
Base-Backbone interact. energy: -1.391
local terms energy: -73.455046
where:
bonds (distance) C4'-P energy: -18.290
bonds (distance) P-C4' energy: -16.029
flat angles C4'-P-C4' energy: -15.065
flat angles P-C4'-P energy: -12.339
tors. eta vs tors. theta energy: -11.732
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 384
Temperature: 1.250000
Total energy: -195.998158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.998158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.998158 (E_RNA)
where:
Base-Base interactions energy: -113.649
where: short stacking energy: -52.662
Base-Backbone interact. energy: -0.290
local terms energy: -82.059508
where:
bonds (distance) C4'-P energy: -17.720
bonds (distance) P-C4' energy: -21.161
flat angles C4'-P-C4' energy: -17.941
flat angles P-C4'-P energy: -12.925
tors. eta vs tors. theta energy: -12.312
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 384
Temperature: 1.300000
Total energy: -100.942341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.942341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.942341 (E_RNA)
where:
Base-Base interactions energy: -31.132
where: short stacking energy: -31.375
Base-Backbone interact. energy: -0.133
local terms energy: -69.676860
where:
bonds (distance) C4'-P energy: -18.690
bonds (distance) P-C4' energy: -16.625
flat angles C4'-P-C4' energy: -14.992
flat angles P-C4'-P energy: -13.614
tors. eta vs tors. theta energy: -5.756
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 384
Temperature: 1.350000
Total energy: -128.467660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.467660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.467660 (E_RNA)
where:
Base-Base interactions energy: -63.859
where: short stacking energy: -51.521
Base-Backbone interact. energy: -0.270
local terms energy: -64.339432
where:
bonds (distance) C4'-P energy: -14.380
bonds (distance) P-C4' energy: -15.078
flat angles C4'-P-C4' energy: -15.057
flat angles P-C4'-P energy: -12.631
tors. eta vs tors. theta energy: -7.193
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 385
Temperature: 0.900000
Total energy: -357.418588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.418588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.418588 (E_RNA)
where:
Base-Base interactions energy: -253.687
where: short stacking energy: -95.020
Base-Backbone interact. energy: 2.116
local terms energy: -105.848173
where:
bonds (distance) C4'-P energy: -20.379
bonds (distance) P-C4' energy: -21.418
flat angles C4'-P-C4' energy: -21.327
flat angles P-C4'-P energy: -16.669
tors. eta vs tors. theta energy: -26.056
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 385
Temperature: 0.950000
Total energy: -329.369079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.369079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.369079 (E_RNA)
where:
Base-Base interactions energy: -224.720
where: short stacking energy: -86.193
Base-Backbone interact. energy: -1.211
local terms energy: -103.438644
where:
bonds (distance) C4'-P energy: -22.568
bonds (distance) P-C4' energy: -21.013
flat angles C4'-P-C4' energy: -22.776
flat angles P-C4'-P energy: -15.359
tors. eta vs tors. theta energy: -21.722
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 385
Temperature: 1.000000
Total energy: -322.975805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.975805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.975805 (E_RNA)
where:
Base-Base interactions energy: -218.624
where: short stacking energy: -90.998
Base-Backbone interact. energy: -0.488
local terms energy: -103.863901
where:
bonds (distance) C4'-P energy: -19.881
bonds (distance) P-C4' energy: -24.700
flat angles C4'-P-C4' energy: -22.036
flat angles P-C4'-P energy: -12.052
tors. eta vs tors. theta energy: -25.195
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 385
Temperature: 1.050000
Total energy: -273.913656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.913656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.913656 (E_RNA)
where:
Base-Base interactions energy: -192.387
where: short stacking energy: -88.930
Base-Backbone interact. energy: 0.831
local terms energy: -82.357383
where:
bonds (distance) C4'-P energy: -18.783
bonds (distance) P-C4' energy: -10.930
flat angles C4'-P-C4' energy: -19.450
flat angles P-C4'-P energy: -9.542
tors. eta vs tors. theta energy: -23.652
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 385
Temperature: 1.100000
Total energy: -264.841230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.841230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.841230 (E_RNA)
where:
Base-Base interactions energy: -176.983
where: short stacking energy: -82.286
Base-Backbone interact. energy: -0.150
local terms energy: -87.708174
where:
bonds (distance) C4'-P energy: -13.571
bonds (distance) P-C4' energy: -20.097
flat angles C4'-P-C4' energy: -20.111
flat angles P-C4'-P energy: -13.453
tors. eta vs tors. theta energy: -20.477
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 385
Temperature: 1.150000
Total energy: -265.664864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.664864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.664864 (E_RNA)
where:
Base-Base interactions energy: -190.199
where: short stacking energy: -71.851
Base-Backbone interact. energy: -0.119
local terms energy: -75.346796
where:
bonds (distance) C4'-P energy: -10.291
bonds (distance) P-C4' energy: -22.106
flat angles C4'-P-C4' energy: -20.845
flat angles P-C4'-P energy: -6.915
tors. eta vs tors. theta energy: -15.191
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 385
Temperature: 1.200000
Total energy: -213.723596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.723596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.723596 (E_RNA)
where:
Base-Base interactions energy: -137.892
where: short stacking energy: -60.485
Base-Backbone interact. energy: -0.300
local terms energy: -75.532052
where:
bonds (distance) C4'-P energy: -17.650
bonds (distance) P-C4' energy: -19.470
flat angles C4'-P-C4' energy: -17.356
flat angles P-C4'-P energy: -12.345
tors. eta vs tors. theta energy: -8.710
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 385
Temperature: 1.250000
Total energy: -175.481848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.481848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.481848 (E_RNA)
where:
Base-Base interactions energy: -113.367
where: short stacking energy: -65.275
Base-Backbone interact. energy: -0.213
local terms energy: -61.901622
where:
bonds (distance) C4'-P energy: -15.085
bonds (distance) P-C4' energy: -14.244
flat angles C4'-P-C4' energy: -14.588
flat angles P-C4'-P energy: -2.779
tors. eta vs tors. theta energy: -15.205
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 385
Temperature: 1.300000
Total energy: -111.640070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.640070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.640070 (E_RNA)
where:
Base-Base interactions energy: -39.505
where: short stacking energy: -39.505
Base-Backbone interact. energy: -0.092
local terms energy: -72.043406
where:
bonds (distance) C4'-P energy: -15.468
bonds (distance) P-C4' energy: -17.933
flat angles C4'-P-C4' energy: -16.231
flat angles P-C4'-P energy: -14.762
tors. eta vs tors. theta energy: -7.650
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 385
Temperature: 1.350000
Total energy: -95.348112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.348112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.348112 (E_RNA)
where:
Base-Base interactions energy: -40.787
where: short stacking energy: -29.849
Base-Backbone interact. energy: -0.279
local terms energy: -54.281493
where:
bonds (distance) C4'-P energy: -11.320
bonds (distance) P-C4' energy: -17.346
flat angles C4'-P-C4' energy: -15.562
flat angles P-C4'-P energy: -11.759
tors. eta vs tors. theta energy: 1.705
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 386
Temperature: 0.900000
Total energy: -351.117123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.117123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.117123 (E_RNA)
where:
Base-Base interactions energy: -250.291
where: short stacking energy: -94.727
Base-Backbone interact. energy: 0.132
local terms energy: -100.958668
where:
bonds (distance) C4'-P energy: -17.232
bonds (distance) P-C4' energy: -21.685
flat angles C4'-P-C4' energy: -22.084
flat angles P-C4'-P energy: -14.355
tors. eta vs tors. theta energy: -25.603
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 386
Temperature: 0.950000
Total energy: -330.271774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.271774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.271774 (E_RNA)
where:
Base-Base interactions energy: -238.233
where: short stacking energy: -89.310
Base-Backbone interact. energy: -0.292
local terms energy: -91.747055
where:
bonds (distance) C4'-P energy: -20.900
bonds (distance) P-C4' energy: -14.857
flat angles C4'-P-C4' energy: -15.693
flat angles P-C4'-P energy: -14.608
tors. eta vs tors. theta energy: -25.689
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 386
Temperature: 1.000000
Total energy: -277.707031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.707031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.707031 (E_RNA)
where:
Base-Base interactions energy: -195.968
where: short stacking energy: -91.315
Base-Backbone interact. energy: 1.809
local terms energy: -83.548705
where:
bonds (distance) C4'-P energy: -18.247
bonds (distance) P-C4' energy: -15.770
flat angles C4'-P-C4' energy: -16.331
flat angles P-C4'-P energy: -8.907
tors. eta vs tors. theta energy: -24.294
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 386
Temperature: 1.050000
Total energy: -318.806879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.806879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.806879 (E_RNA)
where:
Base-Base interactions energy: -222.062
where: short stacking energy: -94.449
Base-Backbone interact. energy: -0.563
local terms energy: -96.181794
where:
bonds (distance) C4'-P energy: -17.259
bonds (distance) P-C4' energy: -19.488
flat angles C4'-P-C4' energy: -19.523
flat angles P-C4'-P energy: -11.693
tors. eta vs tors. theta energy: -28.218
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 386
Temperature: 1.100000
Total energy: -257.422653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.422653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.422653 (E_RNA)
where:
Base-Base interactions energy: -171.184
where: short stacking energy: -76.964
Base-Backbone interact. energy: -1.120
local terms energy: -85.118409
where:
bonds (distance) C4'-P energy: -19.194
bonds (distance) P-C4' energy: -15.391
flat angles C4'-P-C4' energy: -19.670
flat angles P-C4'-P energy: -13.695
tors. eta vs tors. theta energy: -17.168
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 386
Temperature: 1.150000
Total energy: -273.528491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.528491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.528491 (E_RNA)
where:
Base-Base interactions energy: -196.584
where: short stacking energy: -84.869
Base-Backbone interact. energy: -0.944
local terms energy: -76.000738
where:
bonds (distance) C4'-P energy: -15.183
bonds (distance) P-C4' energy: -14.361
flat angles C4'-P-C4' energy: -14.234
flat angles P-C4'-P energy: -13.580
tors. eta vs tors. theta energy: -18.643
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 386
Temperature: 1.200000
Total energy: -210.147080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.147080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.147080 (E_RNA)
where:
Base-Base interactions energy: -136.675
where: short stacking energy: -65.381
Base-Backbone interact. energy: -0.301
local terms energy: -73.171068
where:
bonds (distance) C4'-P energy: -15.047
bonds (distance) P-C4' energy: -20.479
flat angles C4'-P-C4' energy: -15.775
flat angles P-C4'-P energy: -5.383
tors. eta vs tors. theta energy: -16.486
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 386
Temperature: 1.250000
Total energy: -224.843236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.843236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.843236 (E_RNA)
where:
Base-Base interactions energy: -150.423
where: short stacking energy: -64.241
Base-Backbone interact. energy: -0.624
local terms energy: -73.796791
where:
bonds (distance) C4'-P energy: -18.349
bonds (distance) P-C4' energy: -15.377
flat angles C4'-P-C4' energy: -18.033
flat angles P-C4'-P energy: -9.314
tors. eta vs tors. theta energy: -12.725
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 386
Temperature: 1.300000
Total energy: -130.921581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.921581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.921581 (E_RNA)
where:
Base-Base interactions energy: -70.948
where: short stacking energy: -40.916
Base-Backbone interact. energy: -1.061
local terms energy: -58.913436
where:
bonds (distance) C4'-P energy: -13.741
bonds (distance) P-C4' energy: -14.548
flat angles C4'-P-C4' energy: -14.185
flat angles P-C4'-P energy: -10.581
tors. eta vs tors. theta energy: -5.858
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 386
Temperature: 1.350000
Total energy: -116.172375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.172375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.172375 (E_RNA)
where:
Base-Base interactions energy: -53.994
where: short stacking energy: -50.485
Base-Backbone interact. energy: -0.161
local terms energy: -62.017413
where:
bonds (distance) C4'-P energy: -18.271
bonds (distance) P-C4' energy: -9.019
flat angles C4'-P-C4' energy: -18.669
flat angles P-C4'-P energy: -8.229
tors. eta vs tors. theta energy: -7.830
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 387
Temperature: 0.900000
Total energy: -351.327256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.327256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.327256 (E_RNA)
where:
Base-Base interactions energy: -253.786
where: short stacking energy: -100.223
Base-Backbone interact. energy: -0.263
local terms energy: -97.278656
where:
bonds (distance) C4'-P energy: -15.386
bonds (distance) P-C4' energy: -18.921
flat angles C4'-P-C4' energy: -21.371
flat angles P-C4'-P energy: -14.707
tors. eta vs tors. theta energy: -26.894
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 387
Temperature: 0.950000
Total energy: -335.738601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.738601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.738601 (E_RNA)
where:
Base-Base interactions energy: -242.879
where: short stacking energy: -100.168
Base-Backbone interact. energy: 0.034
local terms energy: -92.893445
where:
bonds (distance) C4'-P energy: -19.240
bonds (distance) P-C4' energy: -18.061
flat angles C4'-P-C4' energy: -18.892
flat angles P-C4'-P energy: -12.830
tors. eta vs tors. theta energy: -23.871
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 387
Temperature: 1.000000
Total energy: -277.317655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.317655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.317655 (E_RNA)
where:
Base-Base interactions energy: -181.355
where: short stacking energy: -82.800
Base-Backbone interact. energy: -1.364
local terms energy: -94.598620
where:
bonds (distance) C4'-P energy: -18.837
bonds (distance) P-C4' energy: -21.589
flat angles C4'-P-C4' energy: -19.833
flat angles P-C4'-P energy: -12.492
tors. eta vs tors. theta energy: -21.848
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 387
Temperature: 1.050000
Total energy: -315.929643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.929643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.929643 (E_RNA)
where:
Base-Base interactions energy: -222.380
where: short stacking energy: -85.296
Base-Backbone interact. energy: -0.707
local terms energy: -92.843133
where:
bonds (distance) C4'-P energy: -19.351
bonds (distance) P-C4' energy: -16.535
flat angles C4'-P-C4' energy: -21.116
flat angles P-C4'-P energy: -11.980
tors. eta vs tors. theta energy: -23.861
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 387
Temperature: 1.100000
Total energy: -282.433630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.433630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.433630 (E_RNA)
where:
Base-Base interactions energy: -190.839
where: short stacking energy: -98.247
Base-Backbone interact. energy: 0.527
local terms energy: -92.121779
where:
bonds (distance) C4'-P energy: -17.351
bonds (distance) P-C4' energy: -16.093
flat angles C4'-P-C4' energy: -19.581
flat angles P-C4'-P energy: -13.838
tors. eta vs tors. theta energy: -25.260
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 387
Temperature: 1.150000
Total energy: -245.956085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.956085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.956085 (E_RNA)
where:
Base-Base interactions energy: -165.281
where: short stacking energy: -73.578
Base-Backbone interact. energy: -0.729
local terms energy: -79.945566
where:
bonds (distance) C4'-P energy: -22.215
bonds (distance) P-C4' energy: -18.495
flat angles C4'-P-C4' energy: -12.221
flat angles P-C4'-P energy: -12.804
tors. eta vs tors. theta energy: -14.210
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 387
Temperature: 1.200000
Total energy: -215.416289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.416289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.416289 (E_RNA)
where:
Base-Base interactions energy: -131.533
where: short stacking energy: -60.008
Base-Backbone interact. energy: -0.421
local terms energy: -83.461788
where:
bonds (distance) C4'-P energy: -14.968
bonds (distance) P-C4' energy: -19.238
flat angles C4'-P-C4' energy: -21.219
flat angles P-C4'-P energy: -10.354
tors. eta vs tors. theta energy: -17.681
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 387
Temperature: 1.250000
Total energy: -233.159383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.159383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.159383 (E_RNA)
where:
Base-Base interactions energy: -159.200
where: short stacking energy: -64.318
Base-Backbone interact. energy: -0.108
local terms energy: -73.851574
where:
bonds (distance) C4'-P energy: -17.954
bonds (distance) P-C4' energy: -20.076
flat angles C4'-P-C4' energy: -14.640
flat angles P-C4'-P energy: -11.539
tors. eta vs tors. theta energy: -9.644
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 387
Temperature: 1.300000
Total energy: -136.262728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.262728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.262728 (E_RNA)
where:
Base-Base interactions energy: -65.974
where: short stacking energy: -44.180
Base-Backbone interact. energy: 0.606
local terms energy: -70.894448
where:
bonds (distance) C4'-P energy: -14.214
bonds (distance) P-C4' energy: -20.242
flat angles C4'-P-C4' energy: -16.292
flat angles P-C4'-P energy: -12.070
tors. eta vs tors. theta energy: -8.077
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 387
Temperature: 1.350000
Total energy: -110.886690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.886690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.886690 (E_RNA)
where:
Base-Base interactions energy: -42.729
where: short stacking energy: -36.840
Base-Backbone interact. energy: -0.114
local terms energy: -68.043930
where:
bonds (distance) C4'-P energy: -16.322
bonds (distance) P-C4' energy: -14.428
flat angles C4'-P-C4' energy: -18.608
flat angles P-C4'-P energy: -14.487
tors. eta vs tors. theta energy: -4.199
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 388
Temperature: 0.900000
Total energy: -344.556030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.556030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.556030 (E_RNA)
where:
Base-Base interactions energy: -241.925
where: short stacking energy: -100.272
Base-Backbone interact. energy: -0.573
local terms energy: -102.058558
where:
bonds (distance) C4'-P energy: -22.419
bonds (distance) P-C4' energy: -21.915
flat angles C4'-P-C4' energy: -18.028
flat angles P-C4'-P energy: -15.529
tors. eta vs tors. theta energy: -24.168
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 388
Temperature: 0.950000
Total energy: -349.122662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.122662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.122662 (E_RNA)
where:
Base-Base interactions energy: -252.603
where: short stacking energy: -104.073
Base-Backbone interact. energy: 0.248
local terms energy: -96.766889
where:
bonds (distance) C4'-P energy: -18.552
bonds (distance) P-C4' energy: -16.346
flat angles C4'-P-C4' energy: -20.191
flat angles P-C4'-P energy: -16.118
tors. eta vs tors. theta energy: -25.561
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 388
Temperature: 1.000000
Total energy: -324.801225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.801225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.801225 (E_RNA)
where:
Base-Base interactions energy: -235.331
where: short stacking energy: -91.649
Base-Backbone interact. energy: -0.604
local terms energy: -88.866801
where:
bonds (distance) C4'-P energy: -16.213
bonds (distance) P-C4' energy: -15.576
flat angles C4'-P-C4' energy: -18.703
flat angles P-C4'-P energy: -13.398
tors. eta vs tors. theta energy: -24.976
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 388
Temperature: 1.050000
Total energy: -266.003550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.003550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.003550 (E_RNA)
where:
Base-Base interactions energy: -174.482
where: short stacking energy: -86.189
Base-Backbone interact. energy: -0.355
local terms energy: -91.166929
where:
bonds (distance) C4'-P energy: -18.868
bonds (distance) P-C4' energy: -18.249
flat angles C4'-P-C4' energy: -17.899
flat angles P-C4'-P energy: -14.087
tors. eta vs tors. theta energy: -22.064
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 388
Temperature: 1.100000
Total energy: -257.498580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.498580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.498580 (E_RNA)
where:
Base-Base interactions energy: -170.388
where: short stacking energy: -81.027
Base-Backbone interact. energy: 0.029
local terms energy: -87.139303
where:
bonds (distance) C4'-P energy: -15.840
bonds (distance) P-C4' energy: -12.051
flat angles C4'-P-C4' energy: -22.008
flat angles P-C4'-P energy: -16.836
tors. eta vs tors. theta energy: -20.404
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 388
Temperature: 1.150000
Total energy: -262.101785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.101785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.101785 (E_RNA)
where:
Base-Base interactions energy: -178.500
where: short stacking energy: -81.571
Base-Backbone interact. energy: -0.088
local terms energy: -83.513209
where:
bonds (distance) C4'-P energy: -12.586
bonds (distance) P-C4' energy: -18.122
flat angles C4'-P-C4' energy: -19.991
flat angles P-C4'-P energy: -12.104
tors. eta vs tors. theta energy: -20.711
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 388
Temperature: 1.200000
Total energy: -237.729425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.729425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.729425 (E_RNA)
where:
Base-Base interactions energy: -166.615
where: short stacking energy: -68.395
Base-Backbone interact. energy: -0.149
local terms energy: -70.966221
where:
bonds (distance) C4'-P energy: -12.358
bonds (distance) P-C4' energy: -19.342
flat angles C4'-P-C4' energy: -19.739
flat angles P-C4'-P energy: -8.424
tors. eta vs tors. theta energy: -11.103
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 388
Temperature: 1.250000
Total energy: -209.103642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.103642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.103642 (E_RNA)
where:
Base-Base interactions energy: -133.873
where: short stacking energy: -65.180
Base-Backbone interact. energy: -0.477
local terms energy: -74.752938
where:
bonds (distance) C4'-P energy: -15.028
bonds (distance) P-C4' energy: -16.132
flat angles C4'-P-C4' energy: -22.620
flat angles P-C4'-P energy: -7.207
tors. eta vs tors. theta energy: -13.766
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 388
Temperature: 1.300000
Total energy: -110.108572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.108572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.108572 (E_RNA)
where:
Base-Base interactions energy: -55.174
where: short stacking energy: -42.888
Base-Backbone interact. energy: -0.907
local terms energy: -54.027323
where:
bonds (distance) C4'-P energy: -16.893
bonds (distance) P-C4' energy: -14.032
flat angles C4'-P-C4' energy: -12.464
flat angles P-C4'-P energy: -8.491
tors. eta vs tors. theta energy: -2.148
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 388
Temperature: 1.350000
Total energy: -108.552578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.552578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.552578 (E_RNA)
where:
Base-Base interactions energy: -37.343
where: short stacking energy: -37.343
Base-Backbone interact. energy: 1.164
local terms energy: -72.374411
where:
bonds (distance) C4'-P energy: -18.862
bonds (distance) P-C4' energy: -19.871
flat angles C4'-P-C4' energy: -20.567
flat angles P-C4'-P energy: -6.965
tors. eta vs tors. theta energy: -6.110
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 389
Temperature: 0.900000
Total energy: -344.457205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.457205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.457205 (E_RNA)
where:
Base-Base interactions energy: -240.338
where: short stacking energy: -97.649
Base-Backbone interact. energy: -0.382
local terms energy: -103.737483
where:
bonds (distance) C4'-P energy: -22.855
bonds (distance) P-C4' energy: -20.689
flat angles C4'-P-C4' energy: -19.988
flat angles P-C4'-P energy: -12.434
tors. eta vs tors. theta energy: -27.772
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 389
Temperature: 0.950000
Total energy: -342.746880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.746880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.746880 (E_RNA)
where:
Base-Base interactions energy: -245.161
where: short stacking energy: -98.521
Base-Backbone interact. energy: -0.158
local terms energy: -97.427409
where:
bonds (distance) C4'-P energy: -16.534
bonds (distance) P-C4' energy: -17.533
flat angles C4'-P-C4' energy: -22.296
flat angles P-C4'-P energy: -17.302
tors. eta vs tors. theta energy: -23.762
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 389
Temperature: 1.000000
Total energy: -329.977389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.977389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.977389 (E_RNA)
where:
Base-Base interactions energy: -226.307
where: short stacking energy: -100.417
Base-Backbone interact. energy: -1.537
local terms energy: -102.132984
where:
bonds (distance) C4'-P energy: -14.901
bonds (distance) P-C4' energy: -23.482
flat angles C4'-P-C4' energy: -18.944
flat angles P-C4'-P energy: -18.172
tors. eta vs tors. theta energy: -26.634
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 389
Temperature: 1.050000
Total energy: -274.881526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.881526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.881526 (E_RNA)
where:
Base-Base interactions energy: -185.986
where: short stacking energy: -81.358
Base-Backbone interact. energy: -0.375
local terms energy: -88.520290
where:
bonds (distance) C4'-P energy: -15.655
bonds (distance) P-C4' energy: -18.533
flat angles C4'-P-C4' energy: -18.726
flat angles P-C4'-P energy: -18.084
tors. eta vs tors. theta energy: -17.522
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 389
Temperature: 1.100000
Total energy: -255.650676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.650676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.650676 (E_RNA)
where:
Base-Base interactions energy: -165.167
where: short stacking energy: -76.898
Base-Backbone interact. energy: -0.671
local terms energy: -89.812602
where:
bonds (distance) C4'-P energy: -17.117
bonds (distance) P-C4' energy: -21.786
flat angles C4'-P-C4' energy: -19.442
flat angles P-C4'-P energy: -11.543
tors. eta vs tors. theta energy: -19.926
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 389
Temperature: 1.150000
Total energy: -241.985694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.985694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.985694 (E_RNA)
where:
Base-Base interactions energy: -159.387
where: short stacking energy: -81.648
Base-Backbone interact. energy: 0.972
local terms energy: -83.570089
where:
bonds (distance) C4'-P energy: -14.905
bonds (distance) P-C4' energy: -18.349
flat angles C4'-P-C4' energy: -13.399
flat angles P-C4'-P energy: -15.389
tors. eta vs tors. theta energy: -21.529
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 389
Temperature: 1.200000
Total energy: -257.755114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.755114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.755114 (E_RNA)
where:
Base-Base interactions energy: -170.735
where: short stacking energy: -73.192
Base-Backbone interact. energy: -0.233
local terms energy: -86.787405
where:
bonds (distance) C4'-P energy: -13.236
bonds (distance) P-C4' energy: -22.737
flat angles C4'-P-C4' energy: -22.483
flat angles P-C4'-P energy: -12.252
tors. eta vs tors. theta energy: -16.080
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 389
Temperature: 1.250000
Total energy: -210.991747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.991747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.991747 (E_RNA)
where:
Base-Base interactions energy: -132.275
where: short stacking energy: -69.579
Base-Backbone interact. energy: -0.749
local terms energy: -77.967727
where:
bonds (distance) C4'-P energy: -19.157
bonds (distance) P-C4' energy: -15.509
flat angles C4'-P-C4' energy: -19.470
flat angles P-C4'-P energy: -6.875
tors. eta vs tors. theta energy: -16.956
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 389
Temperature: 1.300000
Total energy: -108.837239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.837239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.837239 (E_RNA)
where:
Base-Base interactions energy: -51.106
where: short stacking energy: -30.326
Base-Backbone interact. energy: 0.155
local terms energy: -57.886501
where:
bonds (distance) C4'-P energy: -11.220
bonds (distance) P-C4' energy: -16.579
flat angles C4'-P-C4' energy: -15.018
flat angles P-C4'-P energy: -12.378
tors. eta vs tors. theta energy: -2.692
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 389
Temperature: 1.350000
Total energy: -108.503331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.503331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.503331 (E_RNA)
where:
Base-Base interactions energy: -50.323
where: short stacking energy: -49.307
Base-Backbone interact. energy: 0.472
local terms energy: -58.652647
where:
bonds (distance) C4'-P energy: -13.158
bonds (distance) P-C4' energy: -18.189
flat angles C4'-P-C4' energy: -14.031
flat angles P-C4'-P energy: -9.162
tors. eta vs tors. theta energy: -4.112
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 390
Temperature: 0.900000
Total energy: -342.164101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.164101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.164101 (E_RNA)
where:
Base-Base interactions energy: -246.935
where: short stacking energy: -98.538
Base-Backbone interact. energy: -0.564
local terms energy: -94.665354
where:
bonds (distance) C4'-P energy: -21.877
bonds (distance) P-C4' energy: -19.179
flat angles C4'-P-C4' energy: -17.869
flat angles P-C4'-P energy: -11.020
tors. eta vs tors. theta energy: -24.720
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 390
Temperature: 0.950000
Total energy: -353.334532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.334532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.334532 (E_RNA)
where:
Base-Base interactions energy: -250.687
where: short stacking energy: -94.148
Base-Backbone interact. energy: 0.097
local terms energy: -102.744465
where:
bonds (distance) C4'-P energy: -20.204
bonds (distance) P-C4' energy: -20.051
flat angles C4'-P-C4' energy: -21.990
flat angles P-C4'-P energy: -13.855
tors. eta vs tors. theta energy: -26.644
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 390
Temperature: 1.000000
Total energy: -327.314880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.314880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.314880 (E_RNA)
where:
Base-Base interactions energy: -229.109
where: short stacking energy: -94.575
Base-Backbone interact. energy: -1.318
local terms energy: -96.888010
where:
bonds (distance) C4'-P energy: -21.339
bonds (distance) P-C4' energy: -15.988
flat angles C4'-P-C4' energy: -20.606
flat angles P-C4'-P energy: -12.210
tors. eta vs tors. theta energy: -26.745
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 390
Temperature: 1.050000
Total energy: -246.251544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.251544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.251544 (E_RNA)
where:
Base-Base interactions energy: -167.969
where: short stacking energy: -71.501
Base-Backbone interact. energy: -0.255
local terms energy: -78.027986
where:
bonds (distance) C4'-P energy: -12.665
bonds (distance) P-C4' energy: -20.461
flat angles C4'-P-C4' energy: -18.158
flat angles P-C4'-P energy: -13.045
tors. eta vs tors. theta energy: -13.699
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 390
Temperature: 1.100000
Total energy: -257.402324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.402324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.402324 (E_RNA)
where:
Base-Base interactions energy: -166.405
where: short stacking energy: -81.761
Base-Backbone interact. energy: -0.030
local terms energy: -90.966842
where:
bonds (distance) C4'-P energy: -21.744
bonds (distance) P-C4' energy: -18.632
flat angles C4'-P-C4' energy: -22.015
flat angles P-C4'-P energy: -11.500
tors. eta vs tors. theta energy: -17.077
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 390
Temperature: 1.150000
Total energy: -247.599663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.599663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.599663 (E_RNA)
where:
Base-Base interactions energy: -164.328
where: short stacking energy: -74.851
Base-Backbone interact. energy: -0.237
local terms energy: -83.034347
where:
bonds (distance) C4'-P energy: -18.193
bonds (distance) P-C4' energy: -13.018
flat angles C4'-P-C4' energy: -21.980
flat angles P-C4'-P energy: -8.509
tors. eta vs tors. theta energy: -21.335
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 390
Temperature: 1.200000
Total energy: -250.981683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.981683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.981683 (E_RNA)
where:
Base-Base interactions energy: -168.036
where: short stacking energy: -72.455
Base-Backbone interact. energy: -0.017
local terms energy: -82.928190
where:
bonds (distance) C4'-P energy: -13.450
bonds (distance) P-C4' energy: -14.685
flat angles C4'-P-C4' energy: -20.113
flat angles P-C4'-P energy: -13.136
tors. eta vs tors. theta energy: -21.544
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 390
Temperature: 1.250000
Total energy: -207.872280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.872280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.872280 (E_RNA)
where:
Base-Base interactions energy: -133.208
where: short stacking energy: -64.077
Base-Backbone interact. energy: -0.499
local terms energy: -74.165251
where:
bonds (distance) C4'-P energy: -16.184
bonds (distance) P-C4' energy: -19.197
flat angles C4'-P-C4' energy: -18.288
flat angles P-C4'-P energy: -7.288
tors. eta vs tors. theta energy: -13.209
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 390
Temperature: 1.300000
Total energy: -109.135045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.135045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.135045 (E_RNA)
where:
Base-Base interactions energy: -40.434
where: short stacking energy: -40.434
Base-Backbone interact. energy: -0.060
local terms energy: -68.641403
where:
bonds (distance) C4'-P energy: -14.208
bonds (distance) P-C4' energy: -19.738
flat angles C4'-P-C4' energy: -11.756
flat angles P-C4'-P energy: -12.876
tors. eta vs tors. theta energy: -10.064
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 390
Temperature: 1.350000
Total energy: -104.285430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.285430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.285430 (E_RNA)
where:
Base-Base interactions energy: -45.317
where: short stacking energy: -45.317
Base-Backbone interact. energy: -0.146
local terms energy: -58.822575
where:
bonds (distance) C4'-P energy: -15.087
bonds (distance) P-C4' energy: -21.228
flat angles C4'-P-C4' energy: -9.593
flat angles P-C4'-P energy: -11.083
tors. eta vs tors. theta energy: -1.833
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 391
Temperature: 0.900000
Total energy: -344.201495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.201495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.201495 (E_RNA)
where:
Base-Base interactions energy: -242.902
where: short stacking energy: -99.013
Base-Backbone interact. energy: -0.605
local terms energy: -100.694815
where:
bonds (distance) C4'-P energy: -14.346
bonds (distance) P-C4' energy: -18.564
flat angles C4'-P-C4' energy: -22.932
flat angles P-C4'-P energy: -18.643
tors. eta vs tors. theta energy: -26.210
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 391
Temperature: 0.950000
Total energy: -345.625284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.625284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.625284 (E_RNA)
where:
Base-Base interactions energy: -244.119
where: short stacking energy: -99.366
Base-Backbone interact. energy: -0.739
local terms energy: -100.766812
where:
bonds (distance) C4'-P energy: -20.126
bonds (distance) P-C4' energy: -20.915
flat angles C4'-P-C4' energy: -19.998
flat angles P-C4'-P energy: -14.928
tors. eta vs tors. theta energy: -24.799
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 391
Temperature: 1.000000
Total energy: -328.057058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.057058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.057058 (E_RNA)
where:
Base-Base interactions energy: -222.711
where: short stacking energy: -101.078
Base-Backbone interact. energy: -0.075
local terms energy: -105.270883
where:
bonds (distance) C4'-P energy: -22.917
bonds (distance) P-C4' energy: -22.420
flat angles C4'-P-C4' energy: -21.804
flat angles P-C4'-P energy: -10.908
tors. eta vs tors. theta energy: -27.222
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 391
Temperature: 1.050000
Total energy: -262.726123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.726123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.726123 (E_RNA)
where:
Base-Base interactions energy: -174.813
where: short stacking energy: -72.877
Base-Backbone interact. energy: -0.073
local terms energy: -87.839404
where:
bonds (distance) C4'-P energy: -16.405
bonds (distance) P-C4' energy: -18.307
flat angles C4'-P-C4' energy: -19.666
flat angles P-C4'-P energy: -15.347
tors. eta vs tors. theta energy: -18.114
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 391
Temperature: 1.100000
Total energy: -251.853165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.853165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.853165 (E_RNA)
where:
Base-Base interactions energy: -174.771
where: short stacking energy: -78.691
Base-Backbone interact. energy: 0.553
local terms energy: -77.635257
where:
bonds (distance) C4'-P energy: -14.520
bonds (distance) P-C4' energy: -16.622
flat angles C4'-P-C4' energy: -16.844
flat angles P-C4'-P energy: -9.860
tors. eta vs tors. theta energy: -19.788
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 391
Temperature: 1.150000
Total energy: -240.915860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.915860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.915860 (E_RNA)
where:
Base-Base interactions energy: -163.376
where: short stacking energy: -63.026
Base-Backbone interact. energy: -0.347
local terms energy: -77.193644
where:
bonds (distance) C4'-P energy: -18.291
bonds (distance) P-C4' energy: -16.623
flat angles C4'-P-C4' energy: -20.407
flat angles P-C4'-P energy: -10.820
tors. eta vs tors. theta energy: -11.051
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 391
Temperature: 1.200000
Total energy: -226.361392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.361392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.361392 (E_RNA)
where:
Base-Base interactions energy: -150.169
where: short stacking energy: -73.211
Base-Backbone interact. energy: -0.083
local terms energy: -76.109173
where:
bonds (distance) C4'-P energy: -17.836
bonds (distance) P-C4' energy: -14.449
flat angles C4'-P-C4' energy: -18.834
flat angles P-C4'-P energy: -9.975
tors. eta vs tors. theta energy: -15.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 391
Temperature: 1.250000
Total energy: -210.355666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.355666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.355666 (E_RNA)
where:
Base-Base interactions energy: -130.452
where: short stacking energy: -62.972
Base-Backbone interact. energy: -0.563
local terms energy: -79.340604
where:
bonds (distance) C4'-P energy: -15.179
bonds (distance) P-C4' energy: -14.503
flat angles C4'-P-C4' energy: -21.260
flat angles P-C4'-P energy: -14.055
tors. eta vs tors. theta energy: -14.343
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 391
Temperature: 1.300000
Total energy: -109.716989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.716989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.716989 (E_RNA)
where:
Base-Base interactions energy: -48.502
where: short stacking energy: -46.850
Base-Backbone interact. energy: -0.170
local terms energy: -61.045278
where:
bonds (distance) C4'-P energy: -20.921
bonds (distance) P-C4' energy: -16.542
flat angles C4'-P-C4' energy: -10.051
flat angles P-C4'-P energy: -4.724
tors. eta vs tors. theta energy: -8.808
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 391
Temperature: 1.350000
Total energy: -94.793712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.793712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.793712 (E_RNA)
where:
Base-Base interactions energy: -36.237
where: short stacking energy: -20.578
Base-Backbone interact. energy: -0.215
local terms energy: -58.342039
where:
bonds (distance) C4'-P energy: -18.419
bonds (distance) P-C4' energy: -13.314
flat angles C4'-P-C4' energy: -14.829
flat angles P-C4'-P energy: -9.203
tors. eta vs tors. theta energy: -2.577
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 392
Temperature: 0.900000
Total energy: -343.266567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.266567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.266567 (E_RNA)
where:
Base-Base interactions energy: -241.469
where: short stacking energy: -94.231
Base-Backbone interact. energy: 0.024
local terms energy: -101.821706
where:
bonds (distance) C4'-P energy: -18.132
bonds (distance) P-C4' energy: -20.984
flat angles C4'-P-C4' energy: -24.195
flat angles P-C4'-P energy: -14.548
tors. eta vs tors. theta energy: -23.962
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 392
Temperature: 0.950000
Total energy: -350.777129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.777129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.777129 (E_RNA)
where:
Base-Base interactions energy: -248.570
where: short stacking energy: -95.790
Base-Backbone interact. energy: -0.284
local terms energy: -101.923135
where:
bonds (distance) C4'-P energy: -16.383
bonds (distance) P-C4' energy: -22.980
flat angles C4'-P-C4' energy: -21.524
flat angles P-C4'-P energy: -15.716
tors. eta vs tors. theta energy: -25.321
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 392
Temperature: 1.000000
Total energy: -328.256703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.256703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.256703 (E_RNA)
where:
Base-Base interactions energy: -236.195
where: short stacking energy: -91.956
Base-Backbone interact. energy: -1.038
local terms energy: -91.023630
where:
bonds (distance) C4'-P energy: -14.227
bonds (distance) P-C4' energy: -15.194
flat angles C4'-P-C4' energy: -21.462
flat angles P-C4'-P energy: -15.704
tors. eta vs tors. theta energy: -24.436
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 392
Temperature: 1.050000
Total energy: -270.756906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.756906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.756906 (E_RNA)
where:
Base-Base interactions energy: -174.899
where: short stacking energy: -78.554
Base-Backbone interact. energy: -0.761
local terms energy: -95.096591
where:
bonds (distance) C4'-P energy: -17.198
bonds (distance) P-C4' energy: -19.073
flat angles C4'-P-C4' energy: -20.410
flat angles P-C4'-P energy: -15.557
tors. eta vs tors. theta energy: -22.858
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 392
Temperature: 1.100000
Total energy: -259.908704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.908704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.908704 (E_RNA)
where:
Base-Base interactions energy: -179.082
where: short stacking energy: -81.801
Base-Backbone interact. energy: -0.144
local terms energy: -80.682664
where:
bonds (distance) C4'-P energy: -15.637
bonds (distance) P-C4' energy: -14.997
flat angles C4'-P-C4' energy: -20.539
flat angles P-C4'-P energy: -12.566
tors. eta vs tors. theta energy: -16.944
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 392
Temperature: 1.150000
Total energy: -235.811556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.811556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.811556 (E_RNA)
where:
Base-Base interactions energy: -160.613
where: short stacking energy: -73.858
Base-Backbone interact. energy: -0.092
local terms energy: -75.106161
where:
bonds (distance) C4'-P energy: -11.920
bonds (distance) P-C4' energy: -12.311
flat angles C4'-P-C4' energy: -18.103
flat angles P-C4'-P energy: -16.231
tors. eta vs tors. theta energy: -16.541
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 392
Temperature: 1.200000
Total energy: -229.422050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.422050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.422050 (E_RNA)
where:
Base-Base interactions energy: -143.726
where: short stacking energy: -72.911
Base-Backbone interact. energy: -0.149
local terms energy: -85.547525
where:
bonds (distance) C4'-P energy: -13.376
bonds (distance) P-C4' energy: -21.556
flat angles C4'-P-C4' energy: -20.714
flat angles P-C4'-P energy: -10.568
tors. eta vs tors. theta energy: -19.334
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 392
Temperature: 1.250000
Total energy: -210.007838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.007838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.007838 (E_RNA)
where:
Base-Base interactions energy: -128.836
where: short stacking energy: -63.573
Base-Backbone interact. energy: -0.108
local terms energy: -81.063624
where:
bonds (distance) C4'-P energy: -19.116
bonds (distance) P-C4' energy: -21.138
flat angles C4'-P-C4' energy: -12.101
flat angles P-C4'-P energy: -12.520
tors. eta vs tors. theta energy: -16.188
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 392
Temperature: 1.300000
Total energy: -109.579263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.579263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.579263 (E_RNA)
where:
Base-Base interactions energy: -44.605
where: short stacking energy: -46.104
Base-Backbone interact. energy: 6.585
local terms energy: -71.559352
where:
bonds (distance) C4'-P energy: -18.681
bonds (distance) P-C4' energy: -20.101
flat angles C4'-P-C4' energy: -17.556
flat angles P-C4'-P energy: -12.774
tors. eta vs tors. theta energy: -2.447
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 392
Temperature: 1.350000
Total energy: -95.179687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.179687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.179687 (E_RNA)
where:
Base-Base interactions energy: -38.553
where: short stacking energy: -33.855
Base-Backbone interact. energy: -1.446
local terms energy: -55.180849
where:
bonds (distance) C4'-P energy: -12.950
bonds (distance) P-C4' energy: -13.700
flat angles C4'-P-C4' energy: -18.113
flat angles P-C4'-P energy: -11.202
tors. eta vs tors. theta energy: 0.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 393
Temperature: 0.900000
Total energy: -337.738681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.738681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.738681 (E_RNA)
where:
Base-Base interactions energy: -244.674
where: short stacking energy: -95.258
Base-Backbone interact. energy: -0.564
local terms energy: -92.500655
where:
bonds (distance) C4'-P energy: -18.717
bonds (distance) P-C4' energy: -14.892
flat angles C4'-P-C4' energy: -17.528
flat angles P-C4'-P energy: -15.247
tors. eta vs tors. theta energy: -26.118
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 393
Temperature: 0.950000
Total energy: -327.653146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.653146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.653146 (E_RNA)
where:
Base-Base interactions energy: -226.341
where: short stacking energy: -95.069
Base-Backbone interact. energy: -0.985
local terms energy: -100.327591
where:
bonds (distance) C4'-P energy: -23.185
bonds (distance) P-C4' energy: -21.273
flat angles C4'-P-C4' energy: -19.098
flat angles P-C4'-P energy: -10.159
tors. eta vs tors. theta energy: -26.613
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 393
Temperature: 1.000000
Total energy: -348.288705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.288705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.288705 (E_RNA)
where:
Base-Base interactions energy: -251.750
where: short stacking energy: -95.264
Base-Backbone interact. energy: -0.429
local terms energy: -96.109183
where:
bonds (distance) C4'-P energy: -13.079
bonds (distance) P-C4' energy: -20.047
flat angles C4'-P-C4' energy: -23.525
flat angles P-C4'-P energy: -13.045
tors. eta vs tors. theta energy: -26.412
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 393
Temperature: 1.050000
Total energy: -261.959119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.959119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.959119 (E_RNA)
where:
Base-Base interactions energy: -168.359
where: short stacking energy: -72.433
Base-Backbone interact. energy: -0.462
local terms energy: -93.138044
where:
bonds (distance) C4'-P energy: -20.705
bonds (distance) P-C4' energy: -20.287
flat angles C4'-P-C4' energy: -19.928
flat angles P-C4'-P energy: -16.008
tors. eta vs tors. theta energy: -16.210
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 393
Temperature: 1.100000
Total energy: -257.590831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.590831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.590831 (E_RNA)
where:
Base-Base interactions energy: -163.694
where: short stacking energy: -77.867
Base-Backbone interact. energy: -0.093
local terms energy: -93.803984
where:
bonds (distance) C4'-P energy: -18.768
bonds (distance) P-C4' energy: -20.860
flat angles C4'-P-C4' energy: -18.268
flat angles P-C4'-P energy: -16.564
tors. eta vs tors. theta energy: -19.345
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 393
Temperature: 1.150000
Total energy: -252.854069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.854069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.854069 (E_RNA)
where:
Base-Base interactions energy: -170.252
where: short stacking energy: -86.062
Base-Backbone interact. energy: -0.095
local terms energy: -82.506848
where:
bonds (distance) C4'-P energy: -12.011
bonds (distance) P-C4' energy: -16.319
flat angles C4'-P-C4' energy: -21.225
flat angles P-C4'-P energy: -10.618
tors. eta vs tors. theta energy: -22.334
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 393
Temperature: 1.200000
Total energy: -236.317473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.317473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.317473 (E_RNA)
where:
Base-Base interactions energy: -147.821
where: short stacking energy: -65.272
Base-Backbone interact. energy: -0.393
local terms energy: -88.103555
where:
bonds (distance) C4'-P energy: -16.817
bonds (distance) P-C4' energy: -20.768
flat angles C4'-P-C4' energy: -21.997
flat angles P-C4'-P energy: -13.995
tors. eta vs tors. theta energy: -14.527
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 393
Temperature: 1.250000
Total energy: -193.731950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.731950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.731950 (E_RNA)
where:
Base-Base interactions energy: -120.054
where: short stacking energy: -56.520
Base-Backbone interact. energy: -0.104
local terms energy: -73.574146
where:
bonds (distance) C4'-P energy: -18.424
bonds (distance) P-C4' energy: -18.531
flat angles C4'-P-C4' energy: -16.506
flat angles P-C4'-P energy: -7.271
tors. eta vs tors. theta energy: -12.843
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 393
Temperature: 1.300000
Total energy: -143.083401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.083401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.083401 (E_RNA)
where:
Base-Base interactions energy: -75.503
where: short stacking energy: -42.894
Base-Backbone interact. energy: -0.391
local terms energy: -67.189244
where:
bonds (distance) C4'-P energy: -22.018
bonds (distance) P-C4' energy: -17.935
flat angles C4'-P-C4' energy: -15.395
flat angles P-C4'-P energy: -8.417
tors. eta vs tors. theta energy: -3.424
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 393
Temperature: 1.350000
Total energy: -112.075915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.075915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.075915 (E_RNA)
where:
Base-Base interactions energy: -56.572
where: short stacking energy: -42.397
Base-Backbone interact. energy: 1.504
local terms energy: -57.007682
where:
bonds (distance) C4'-P energy: -11.866
bonds (distance) P-C4' energy: -16.309
flat angles C4'-P-C4' energy: -12.147
flat angles P-C4'-P energy: -13.436
tors. eta vs tors. theta energy: -3.250
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 394
Temperature: 0.900000
Total energy: -331.882437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.882437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.882437 (E_RNA)
where:
Base-Base interactions energy: -229.668
where: short stacking energy: -94.399
Base-Backbone interact. energy: -1.252
local terms energy: -100.961857
where:
bonds (distance) C4'-P energy: -20.966
bonds (distance) P-C4' energy: -19.642
flat angles C4'-P-C4' energy: -21.938
flat angles P-C4'-P energy: -11.203
tors. eta vs tors. theta energy: -27.214
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 394
Temperature: 0.950000
Total energy: -328.492465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.492465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.492465 (E_RNA)
where:
Base-Base interactions energy: -235.211
where: short stacking energy: -86.067
Base-Backbone interact. energy: -1.167
local terms energy: -92.114174
where:
bonds (distance) C4'-P energy: -16.521
bonds (distance) P-C4' energy: -21.292
flat angles C4'-P-C4' energy: -21.372
flat angles P-C4'-P energy: -11.348
tors. eta vs tors. theta energy: -21.580
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 394
Temperature: 1.000000
Total energy: -336.893949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.893949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.893949 (E_RNA)
where:
Base-Base interactions energy: -238.446
where: short stacking energy: -91.245
Base-Backbone interact. energy: 0.392
local terms energy: -98.839108
where:
bonds (distance) C4'-P energy: -21.459
bonds (distance) P-C4' energy: -15.826
flat angles C4'-P-C4' energy: -19.380
flat angles P-C4'-P energy: -16.430
tors. eta vs tors. theta energy: -25.744
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 394
Temperature: 1.050000
Total energy: -265.123372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.123372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.123372 (E_RNA)
where:
Base-Base interactions energy: -178.879
where: short stacking energy: -81.784
Base-Backbone interact. energy: -0.365
local terms energy: -85.880064
where:
bonds (distance) C4'-P energy: -18.610
bonds (distance) P-C4' energy: -16.753
flat angles C4'-P-C4' energy: -16.708
flat angles P-C4'-P energy: -14.550
tors. eta vs tors. theta energy: -19.258
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 394
Temperature: 1.100000
Total energy: -254.964291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.964291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.964291 (E_RNA)
where:
Base-Base interactions energy: -170.915
where: short stacking energy: -82.153
Base-Backbone interact. energy: -0.169
local terms energy: -83.880990
where:
bonds (distance) C4'-P energy: -16.453
bonds (distance) P-C4' energy: -21.389
flat angles C4'-P-C4' energy: -16.699
flat angles P-C4'-P energy: -10.626
tors. eta vs tors. theta energy: -18.714
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 394
Temperature: 1.150000
Total energy: -228.397188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.397188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.397188 (E_RNA)
where:
Base-Base interactions energy: -147.268
where: short stacking energy: -70.999
Base-Backbone interact. energy: -0.575
local terms energy: -80.554357
where:
bonds (distance) C4'-P energy: -20.085
bonds (distance) P-C4' energy: -22.466
flat angles C4'-P-C4' energy: -17.431
flat angles P-C4'-P energy: -9.967
tors. eta vs tors. theta energy: -10.605
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 394
Temperature: 1.200000
Total energy: -231.470608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.470608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.470608 (E_RNA)
where:
Base-Base interactions energy: -156.035
where: short stacking energy: -60.863
Base-Backbone interact. energy: -0.088
local terms energy: -75.347360
where:
bonds (distance) C4'-P energy: -20.465
bonds (distance) P-C4' energy: -14.866
flat angles C4'-P-C4' energy: -15.676
flat angles P-C4'-P energy: -13.297
tors. eta vs tors. theta energy: -11.044
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 394
Temperature: 1.250000
Total energy: -206.758836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.758836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.758836 (E_RNA)
where:
Base-Base interactions energy: -122.185
where: short stacking energy: -64.372
Base-Backbone interact. energy: -0.030
local terms energy: -84.543526
where:
bonds (distance) C4'-P energy: -17.099
bonds (distance) P-C4' energy: -18.341
flat angles C4'-P-C4' energy: -19.451
flat angles P-C4'-P energy: -14.324
tors. eta vs tors. theta energy: -15.328
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 394
Temperature: 1.300000
Total energy: -112.554883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.554883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.554883 (E_RNA)
where:
Base-Base interactions energy: -43.416
where: short stacking energy: -29.948
Base-Backbone interact. energy: -0.265
local terms energy: -68.874535
where:
bonds (distance) C4'-P energy: -14.025
bonds (distance) P-C4' energy: -19.018
flat angles C4'-P-C4' energy: -17.073
flat angles P-C4'-P energy: -15.507
tors. eta vs tors. theta energy: -3.252
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 394
Temperature: 1.350000
Total energy: -171.447250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.447250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.447250 (E_RNA)
where:
Base-Base interactions energy: -94.984
where: short stacking energy: -48.752
Base-Backbone interact. energy: -1.263
local terms energy: -75.200468
where:
bonds (distance) C4'-P energy: -14.971
bonds (distance) P-C4' energy: -18.249
flat angles C4'-P-C4' energy: -17.063
flat angles P-C4'-P energy: -14.637
tors. eta vs tors. theta energy: -10.280
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 395
Temperature: 0.900000
Total energy: -333.933806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.933806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.933806 (E_RNA)
where:
Base-Base interactions energy: -241.806
where: short stacking energy: -97.838
Base-Backbone interact. energy: -0.821
local terms energy: -91.306613
where:
bonds (distance) C4'-P energy: -21.255
bonds (distance) P-C4' energy: -20.407
flat angles C4'-P-C4' energy: -17.827
flat angles P-C4'-P energy: -7.103
tors. eta vs tors. theta energy: -24.715
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 395
Temperature: 0.950000
Total energy: -343.724317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.724317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.724317 (E_RNA)
where:
Base-Base interactions energy: -253.909
where: short stacking energy: -104.676
Base-Backbone interact. energy: 0.889
local terms energy: -90.704603
where:
bonds (distance) C4'-P energy: -18.425
bonds (distance) P-C4' energy: -17.379
flat angles C4'-P-C4' energy: -19.082
flat angles P-C4'-P energy: -14.237
tors. eta vs tors. theta energy: -21.582
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 395
Temperature: 1.000000
Total energy: -335.065681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.065681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.065681 (E_RNA)
where:
Base-Base interactions energy: -234.221
where: short stacking energy: -96.357
Base-Backbone interact. energy: -0.558
local terms energy: -100.286260
where:
bonds (distance) C4'-P energy: -21.176
bonds (distance) P-C4' energy: -18.884
flat angles C4'-P-C4' energy: -21.256
flat angles P-C4'-P energy: -11.803
tors. eta vs tors. theta energy: -27.168
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 395
Temperature: 1.050000
Total energy: -264.718658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.718658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.718658 (E_RNA)
where:
Base-Base interactions energy: -178.727
where: short stacking energy: -76.733
Base-Backbone interact. energy: -0.194
local terms energy: -85.797646
where:
bonds (distance) C4'-P energy: -19.718
bonds (distance) P-C4' energy: -19.393
flat angles C4'-P-C4' energy: -17.844
flat angles P-C4'-P energy: -13.008
tors. eta vs tors. theta energy: -15.836
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 395
Temperature: 1.100000
Total energy: -245.074836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.074836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.074836 (E_RNA)
where:
Base-Base interactions energy: -160.400
where: short stacking energy: -75.240
Base-Backbone interact. energy: -0.104
local terms energy: -84.571176
where:
bonds (distance) C4'-P energy: -19.952
bonds (distance) P-C4' energy: -21.712
flat angles C4'-P-C4' energy: -18.975
flat angles P-C4'-P energy: -10.623
tors. eta vs tors. theta energy: -13.309
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 395
Temperature: 1.150000
Total energy: -233.718728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.718728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.718728 (E_RNA)
where:
Base-Base interactions energy: -156.865
where: short stacking energy: -63.926
Base-Backbone interact. energy: -0.568
local terms energy: -76.285580
where:
bonds (distance) C4'-P energy: -19.281
bonds (distance) P-C4' energy: -17.650
flat angles C4'-P-C4' energy: -15.707
flat angles P-C4'-P energy: -12.265
tors. eta vs tors. theta energy: -11.384
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 395
Temperature: 1.200000
Total energy: -225.754211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.754211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.754211 (E_RNA)
where:
Base-Base interactions energy: -148.934
where: short stacking energy: -60.835
Base-Backbone interact. energy: -0.116
local terms energy: -76.704659
where:
bonds (distance) C4'-P energy: -17.778
bonds (distance) P-C4' energy: -20.856
flat angles C4'-P-C4' energy: -17.901
flat angles P-C4'-P energy: -12.929
tors. eta vs tors. theta energy: -7.240
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 395
Temperature: 1.250000
Total energy: -207.459426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.459426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.459426 (E_RNA)
where:
Base-Base interactions energy: -136.253
where: short stacking energy: -51.661
Base-Backbone interact. energy: -1.352
local terms energy: -69.854360
where:
bonds (distance) C4'-P energy: -11.330
bonds (distance) P-C4' energy: -17.829
flat angles C4'-P-C4' energy: -18.882
flat angles P-C4'-P energy: -9.638
tors. eta vs tors. theta energy: -12.176
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 395
Temperature: 1.300000
Total energy: -111.295500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.295500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.295500 (E_RNA)
where:
Base-Base interactions energy: -56.577
where: short stacking energy: -52.664
Base-Backbone interact. energy: -0.111
local terms energy: -54.607484
where:
bonds (distance) C4'-P energy: -13.295
bonds (distance) P-C4' energy: -18.555
flat angles C4'-P-C4' energy: -7.487
flat angles P-C4'-P energy: -8.526
tors. eta vs tors. theta energy: -6.745
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 395
Temperature: 1.350000
Total energy: -164.817883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.817883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.817883 (E_RNA)
where:
Base-Base interactions energy: -98.927
where: short stacking energy: -61.062
Base-Backbone interact. energy: -0.129
local terms energy: -65.762553
where:
bonds (distance) C4'-P energy: -9.995
bonds (distance) P-C4' energy: -21.926
flat angles C4'-P-C4' energy: -13.430
flat angles P-C4'-P energy: -11.226
tors. eta vs tors. theta energy: -9.185
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 396
Temperature: 0.900000
Total energy: -350.208886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.208886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.208886 (E_RNA)
where:
Base-Base interactions energy: -250.024
where: short stacking energy: -104.168
Base-Backbone interact. energy: 0.104
local terms energy: -100.288704
where:
bonds (distance) C4'-P energy: -22.812
bonds (distance) P-C4' energy: -15.675
flat angles C4'-P-C4' energy: -20.794
flat angles P-C4'-P energy: -13.903
tors. eta vs tors. theta energy: -27.104
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 396
Temperature: 0.950000
Total energy: -321.727997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.727997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.727997 (E_RNA)
where:
Base-Base interactions energy: -220.863
where: short stacking energy: -96.998
Base-Backbone interact. energy: -0.998
local terms energy: -99.867175
where:
bonds (distance) C4'-P energy: -19.442
bonds (distance) P-C4' energy: -21.530
flat angles C4'-P-C4' energy: -19.532
flat angles P-C4'-P energy: -12.880
tors. eta vs tors. theta energy: -26.483
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 396
Temperature: 1.000000
Total energy: -325.859203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.859203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.859203 (E_RNA)
where:
Base-Base interactions energy: -237.552
where: short stacking energy: -99.098
Base-Backbone interact. energy: -0.772
local terms energy: -87.534782
where:
bonds (distance) C4'-P energy: -14.194
bonds (distance) P-C4' energy: -14.508
flat angles C4'-P-C4' energy: -22.047
flat angles P-C4'-P energy: -13.226
tors. eta vs tors. theta energy: -23.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 396
Temperature: 1.050000
Total energy: -265.173633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.173633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.173633 (E_RNA)
where:
Base-Base interactions energy: -175.515
where: short stacking energy: -81.083
Base-Backbone interact. energy: -0.108
local terms energy: -89.550926
where:
bonds (distance) C4'-P energy: -18.130
bonds (distance) P-C4' energy: -16.398
flat angles C4'-P-C4' energy: -21.196
flat angles P-C4'-P energy: -11.506
tors. eta vs tors. theta energy: -22.320
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 396
Temperature: 1.100000
Total energy: -251.455848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.455848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.455848 (E_RNA)
where:
Base-Base interactions energy: -163.301
where: short stacking energy: -73.047
Base-Backbone interact. energy: -2.031
local terms energy: -86.123246
where:
bonds (distance) C4'-P energy: -16.733
bonds (distance) P-C4' energy: -17.732
flat angles C4'-P-C4' energy: -21.712
flat angles P-C4'-P energy: -11.854
tors. eta vs tors. theta energy: -18.092
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 396
Temperature: 1.150000
Total energy: -247.312836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.312836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.312836 (E_RNA)
where:
Base-Base interactions energy: -159.125
where: short stacking energy: -84.361
Base-Backbone interact. energy: -0.028
local terms energy: -88.160555
where:
bonds (distance) C4'-P energy: -20.304
bonds (distance) P-C4' energy: -9.089
flat angles C4'-P-C4' energy: -21.745
flat angles P-C4'-P energy: -11.655
tors. eta vs tors. theta energy: -25.367
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 396
Temperature: 1.200000
Total energy: -261.431114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.431114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.431114 (E_RNA)
where:
Base-Base interactions energy: -170.248
where: short stacking energy: -80.181
Base-Backbone interact. energy: -0.356
local terms energy: -90.826594
where:
bonds (distance) C4'-P energy: -20.030
bonds (distance) P-C4' energy: -20.615
flat angles C4'-P-C4' energy: -19.912
flat angles P-C4'-P energy: -9.116
tors. eta vs tors. theta energy: -21.154
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 396
Temperature: 1.250000
Total energy: -176.459772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.459772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.459772 (E_RNA)
where:
Base-Base interactions energy: -104.234
where: short stacking energy: -56.701
Base-Backbone interact. energy: -0.422
local terms energy: -71.803772
where:
bonds (distance) C4'-P energy: -16.573
bonds (distance) P-C4' energy: -16.163
flat angles C4'-P-C4' energy: -12.099
flat angles P-C4'-P energy: -13.383
tors. eta vs tors. theta energy: -13.585
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 396
Temperature: 1.300000
Total energy: -160.910987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.910987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.910987 (E_RNA)
where:
Base-Base interactions energy: -93.814
where: short stacking energy: -45.077
Base-Backbone interact. energy: -0.272
local terms energy: -66.825920
where:
bonds (distance) C4'-P energy: -18.267
bonds (distance) P-C4' energy: -13.853
flat angles C4'-P-C4' energy: -19.162
flat angles P-C4'-P energy: -8.187
tors. eta vs tors. theta energy: -7.356
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 396
Temperature: 1.350000
Total energy: -114.057678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.057678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.057678 (E_RNA)
where:
Base-Base interactions energy: -47.632
where: short stacking energy: -29.402
Base-Backbone interact. energy: -0.546
local terms energy: -65.879218
where:
bonds (distance) C4'-P energy: -16.233
bonds (distance) P-C4' energy: -20.905
flat angles C4'-P-C4' energy: -18.851
flat angles P-C4'-P energy: -7.903
tors. eta vs tors. theta energy: -1.987
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 397
Temperature: 0.900000
Total energy: -349.556927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.556927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.556927 (E_RNA)
where:
Base-Base interactions energy: -242.645
where: short stacking energy: -88.766
Base-Backbone interact. energy: 0.215
local terms energy: -107.126725
where:
bonds (distance) C4'-P energy: -18.002
bonds (distance) P-C4' energy: -23.772
flat angles C4'-P-C4' energy: -22.213
flat angles P-C4'-P energy: -18.656
tors. eta vs tors. theta energy: -24.484
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 397
Temperature: 0.950000
Total energy: -329.299829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.299829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.299829 (E_RNA)
where:
Base-Base interactions energy: -235.788
where: short stacking energy: -89.639
Base-Backbone interact. energy: -0.362
local terms energy: -93.149307
where:
bonds (distance) C4'-P energy: -15.352
bonds (distance) P-C4' energy: -18.605
flat angles C4'-P-C4' energy: -21.440
flat angles P-C4'-P energy: -15.931
tors. eta vs tors. theta energy: -21.821
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 397
Temperature: 1.000000
Total energy: -318.318351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.318351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.318351 (E_RNA)
where:
Base-Base interactions energy: -230.003
where: short stacking energy: -88.466
Base-Backbone interact. energy: -0.306
local terms energy: -88.009579
where:
bonds (distance) C4'-P energy: -18.156
bonds (distance) P-C4' energy: -17.226
flat angles C4'-P-C4' energy: -17.528
flat angles P-C4'-P energy: -13.059
tors. eta vs tors. theta energy: -22.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 397
Temperature: 1.050000
Total energy: -261.000560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.000560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.000560 (E_RNA)
where:
Base-Base interactions energy: -166.541
where: short stacking energy: -76.748
Base-Backbone interact. energy: -1.868
local terms energy: -92.591309
where:
bonds (distance) C4'-P energy: -20.582
bonds (distance) P-C4' energy: -23.526
flat angles C4'-P-C4' energy: -18.812
flat angles P-C4'-P energy: -12.082
tors. eta vs tors. theta energy: -17.590
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 397
Temperature: 1.100000
Total energy: -259.242899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.242899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.242899 (E_RNA)
where:
Base-Base interactions energy: -168.089
where: short stacking energy: -73.759
Base-Backbone interact. energy: -0.351
local terms energy: -90.802993
where:
bonds (distance) C4'-P energy: -16.760
bonds (distance) P-C4' energy: -23.996
flat angles C4'-P-C4' energy: -20.567
flat angles P-C4'-P energy: -14.924
tors. eta vs tors. theta energy: -14.556
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 397
Temperature: 1.150000
Total energy: -261.418773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.418773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.418773 (E_RNA)
where:
Base-Base interactions energy: -183.359
where: short stacking energy: -78.285
Base-Backbone interact. energy: -0.161
local terms energy: -77.898396
where:
bonds (distance) C4'-P energy: -11.669
bonds (distance) P-C4' energy: -18.622
flat angles C4'-P-C4' energy: -16.650
flat angles P-C4'-P energy: -13.346
tors. eta vs tors. theta energy: -17.611
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 397
Temperature: 1.200000
Total energy: -232.364702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.364702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.364702 (E_RNA)
where:
Base-Base interactions energy: -143.515
where: short stacking energy: -74.875
Base-Backbone interact. energy: -0.049
local terms energy: -88.801457
where:
bonds (distance) C4'-P energy: -19.488
bonds (distance) P-C4' energy: -19.553
flat angles C4'-P-C4' energy: -19.055
flat angles P-C4'-P energy: -12.887
tors. eta vs tors. theta energy: -17.818
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 397
Temperature: 1.250000
Total energy: -173.816942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.816942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.816942 (E_RNA)
where:
Base-Base interactions energy: -109.082
where: short stacking energy: -45.554
Base-Backbone interact. energy: -0.238
local terms energy: -64.497734
where:
bonds (distance) C4'-P energy: -15.298
bonds (distance) P-C4' energy: -21.517
flat angles C4'-P-C4' energy: -14.782
flat angles P-C4'-P energy: -8.335
tors. eta vs tors. theta energy: -4.565
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 397
Temperature: 1.300000
Total energy: -159.048919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.048919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.048919 (E_RNA)
where:
Base-Base interactions energy: -86.712
where: short stacking energy: -46.378
Base-Backbone interact. energy: 0.875
local terms energy: -73.212611
where:
bonds (distance) C4'-P energy: -21.591
bonds (distance) P-C4' energy: -16.425
flat angles C4'-P-C4' energy: -18.988
flat angles P-C4'-P energy: -13.728
tors. eta vs tors. theta energy: -2.481
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 397
Temperature: 1.350000
Total energy: -112.978130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.978130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.978130 (E_RNA)
where:
Base-Base interactions energy: -43.880
where: short stacking energy: -43.880
Base-Backbone interact. energy: -0.115
local terms energy: -68.983085
where:
bonds (distance) C4'-P energy: -14.678
bonds (distance) P-C4' energy: -18.145
flat angles C4'-P-C4' energy: -17.817
flat angles P-C4'-P energy: -12.661
tors. eta vs tors. theta energy: -5.683
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 398
Temperature: 0.900000
Total energy: -347.096486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.096486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.096486 (E_RNA)
where:
Base-Base interactions energy: -243.894
where: short stacking energy: -99.339
Base-Backbone interact. energy: 0.308
local terms energy: -103.510493
where:
bonds (distance) C4'-P energy: -19.240
bonds (distance) P-C4' energy: -20.983
flat angles C4'-P-C4' energy: -21.180
flat angles P-C4'-P energy: -16.323
tors. eta vs tors. theta energy: -25.783
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 398
Temperature: 0.950000
Total energy: -334.750310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.750310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.750310 (E_RNA)
where:
Base-Base interactions energy: -245.111
where: short stacking energy: -97.601
Base-Backbone interact. energy: -0.324
local terms energy: -89.315106
where:
bonds (distance) C4'-P energy: -12.419
bonds (distance) P-C4' energy: -18.010
flat angles C4'-P-C4' energy: -22.613
flat angles P-C4'-P energy: -12.916
tors. eta vs tors. theta energy: -23.358
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 398
Temperature: 1.000000
Total energy: -317.263115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.263115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.263115 (E_RNA)
where:
Base-Base interactions energy: -223.885
where: short stacking energy: -87.720
Base-Backbone interact. energy: -0.927
local terms energy: -92.450878
where:
bonds (distance) C4'-P energy: -21.450
bonds (distance) P-C4' energy: -21.989
flat angles C4'-P-C4' energy: -19.952
flat angles P-C4'-P energy: -11.007
tors. eta vs tors. theta energy: -18.053
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 398
Temperature: 1.050000
Total energy: -250.389226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.389226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.389226 (E_RNA)
where:
Base-Base interactions energy: -159.786
where: short stacking energy: -65.305
Base-Backbone interact. energy: -0.811
local terms energy: -89.792028
where:
bonds (distance) C4'-P energy: -21.765
bonds (distance) P-C4' energy: -21.767
flat angles C4'-P-C4' energy: -21.007
flat angles P-C4'-P energy: -10.484
tors. eta vs tors. theta energy: -14.769
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 398
Temperature: 1.100000
Total energy: -254.544464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.544464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.544464 (E_RNA)
where:
Base-Base interactions energy: -162.093
where: short stacking energy: -76.076
Base-Backbone interact. energy: -0.241
local terms energy: -92.210480
where:
bonds (distance) C4'-P energy: -18.075
bonds (distance) P-C4' energy: -22.443
flat angles C4'-P-C4' energy: -21.937
flat angles P-C4'-P energy: -15.280
tors. eta vs tors. theta energy: -14.476
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 398
Temperature: 1.150000
Total energy: -245.563973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.563973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.563973 (E_RNA)
where:
Base-Base interactions energy: -160.463
where: short stacking energy: -86.641
Base-Backbone interact. energy: -0.329
local terms energy: -84.772110
where:
bonds (distance) C4'-P energy: -18.493
bonds (distance) P-C4' energy: -11.162
flat angles C4'-P-C4' energy: -18.329
flat angles P-C4'-P energy: -12.075
tors. eta vs tors. theta energy: -24.713
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 398
Temperature: 1.200000
Total energy: -233.038794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.038794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.038794 (E_RNA)
where:
Base-Base interactions energy: -148.442
where: short stacking energy: -68.910
Base-Backbone interact. energy: -0.169
local terms energy: -84.427365
where:
bonds (distance) C4'-P energy: -20.073
bonds (distance) P-C4' energy: -18.232
flat angles C4'-P-C4' energy: -19.637
flat angles P-C4'-P energy: -11.586
tors. eta vs tors. theta energy: -14.899
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 398
Temperature: 1.250000
Total energy: -191.481826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.481826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.481826 (E_RNA)
where:
Base-Base interactions energy: -114.939
where: short stacking energy: -62.744
Base-Backbone interact. energy: -0.038
local terms energy: -76.504210
where:
bonds (distance) C4'-P energy: -21.848
bonds (distance) P-C4' energy: -14.270
flat angles C4'-P-C4' energy: -17.543
flat angles P-C4'-P energy: -8.796
tors. eta vs tors. theta energy: -14.047
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 398
Temperature: 1.300000
Total energy: -165.936675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.936675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.936675 (E_RNA)
where:
Base-Base interactions energy: -95.483
where: short stacking energy: -49.533
Base-Backbone interact. energy: -0.195
local terms energy: -70.258691
where:
bonds (distance) C4'-P energy: -12.790
bonds (distance) P-C4' energy: -13.931
flat angles C4'-P-C4' energy: -16.990
flat angles P-C4'-P energy: -12.563
tors. eta vs tors. theta energy: -13.984
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 398
Temperature: 1.350000
Total energy: -94.429655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.429655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.429655 (E_RNA)
where:
Base-Base interactions energy: -46.388
where: short stacking energy: -36.857
Base-Backbone interact. energy: -0.028
local terms energy: -48.013939
where:
bonds (distance) C4'-P energy: -9.901
bonds (distance) P-C4' energy: -19.377
flat angles C4'-P-C4' energy: -11.015
flat angles P-C4'-P energy: -7.248
tors. eta vs tors. theta energy: -0.473
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 399
Temperature: 0.900000
Total energy: -354.096332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.096332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.096332 (E_RNA)
where:
Base-Base interactions energy: -256.732
where: short stacking energy: -106.490
Base-Backbone interact. energy: -0.361
local terms energy: -97.003510
where:
bonds (distance) C4'-P energy: -18.267
bonds (distance) P-C4' energy: -17.074
flat angles C4'-P-C4' energy: -21.137
flat angles P-C4'-P energy: -14.234
tors. eta vs tors. theta energy: -26.292
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 399
Temperature: 0.950000
Total energy: -341.464300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.464300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.464300 (E_RNA)
where:
Base-Base interactions energy: -240.905
where: short stacking energy: -93.775
Base-Backbone interact. energy: 0.514
local terms energy: -101.072968
where:
bonds (distance) C4'-P energy: -19.215
bonds (distance) P-C4' energy: -21.143
flat angles C4'-P-C4' energy: -20.580
flat angles P-C4'-P energy: -17.316
tors. eta vs tors. theta energy: -22.820
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 399
Temperature: 1.000000
Total energy: -323.893273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.893273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.893273 (E_RNA)
where:
Base-Base interactions energy: -220.089
where: short stacking energy: -89.547
Base-Backbone interact. energy: -0.717
local terms energy: -103.086458
where:
bonds (distance) C4'-P energy: -19.729
bonds (distance) P-C4' energy: -17.848
flat angles C4'-P-C4' energy: -23.434
flat angles P-C4'-P energy: -18.653
tors. eta vs tors. theta energy: -23.423
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 399
Temperature: 1.050000
Total energy: -253.218196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.218196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.218196 (E_RNA)
where:
Base-Base interactions energy: -163.462
where: short stacking energy: -71.523
Base-Backbone interact. energy: -0.006
local terms energy: -89.750133
where:
bonds (distance) C4'-P energy: -21.352
bonds (distance) P-C4' energy: -22.591
flat angles C4'-P-C4' energy: -19.762
flat angles P-C4'-P energy: -10.790
tors. eta vs tors. theta energy: -15.255
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 399
Temperature: 1.100000
Total energy: -258.497603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.497603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.497603 (E_RNA)
where:
Base-Base interactions energy: -179.108
where: short stacking energy: -75.278
Base-Backbone interact. energy: -0.243
local terms energy: -79.146448
where:
bonds (distance) C4'-P energy: -18.541
bonds (distance) P-C4' energy: -22.038
flat angles C4'-P-C4' energy: -15.601
flat angles P-C4'-P energy: -6.373
tors. eta vs tors. theta energy: -16.593
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 399
Temperature: 1.150000
Total energy: -246.849414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.849414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.849414 (E_RNA)
where:
Base-Base interactions energy: -158.056
where: short stacking energy: -62.737
Base-Backbone interact. energy: -0.501
local terms energy: -88.292124
where:
bonds (distance) C4'-P energy: -22.709
bonds (distance) P-C4' energy: -21.134
flat angles C4'-P-C4' energy: -18.551
flat angles P-C4'-P energy: -13.593
tors. eta vs tors. theta energy: -12.304
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 399
Temperature: 1.200000
Total energy: -245.056375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.056375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.056375 (E_RNA)
where:
Base-Base interactions energy: -165.001
where: short stacking energy: -65.815
Base-Backbone interact. energy: -0.065
local terms energy: -79.989695
where:
bonds (distance) C4'-P energy: -17.902
bonds (distance) P-C4' energy: -17.886
flat angles C4'-P-C4' energy: -19.382
flat angles P-C4'-P energy: -11.253
tors. eta vs tors. theta energy: -13.567
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 399
Temperature: 1.250000
Total energy: -193.054910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.054910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.054910 (E_RNA)
where:
Base-Base interactions energy: -127.717
where: short stacking energy: -67.828
Base-Backbone interact. energy: -1.774
local terms energy: -63.563906
where:
bonds (distance) C4'-P energy: -16.010
bonds (distance) P-C4' energy: -12.911
flat angles C4'-P-C4' energy: -11.217
flat angles P-C4'-P energy: -11.184
tors. eta vs tors. theta energy: -12.243
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 399
Temperature: 1.300000
Total energy: -161.302243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.302243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.302243 (E_RNA)
where:
Base-Base interactions energy: -88.770
where: short stacking energy: -50.709
Base-Backbone interact. energy: -0.511
local terms energy: -72.020658
where:
bonds (distance) C4'-P energy: -20.050
bonds (distance) P-C4' energy: -20.121
flat angles C4'-P-C4' energy: -10.190
flat angles P-C4'-P energy: -11.241
tors. eta vs tors. theta energy: -10.419
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 399
Temperature: 1.350000
Total energy: -128.369143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.369143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.369143 (E_RNA)
where:
Base-Base interactions energy: -65.683
where: short stacking energy: -38.672
Base-Backbone interact. energy: 0.575
local terms energy: -63.260682
where:
bonds (distance) C4'-P energy: -19.154
bonds (distance) P-C4' energy: -19.692
flat angles C4'-P-C4' energy: -15.303
flat angles P-C4'-P energy: -8.060
tors. eta vs tors. theta energy: -1.051
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 400
Temperature: 0.900000
Total energy: -344.663664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.663664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.663664 (E_RNA)
where:
Base-Base interactions energy: -250.830
where: short stacking energy: -96.617
Base-Backbone interact. energy: 0.477
local terms energy: -94.310924
where:
bonds (distance) C4'-P energy: -17.505
bonds (distance) P-C4' energy: -22.793
flat angles C4'-P-C4' energy: -17.674
flat angles P-C4'-P energy: -13.557
tors. eta vs tors. theta energy: -22.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 400
Temperature: 0.950000
Total energy: -346.815211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.815211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.815211 (E_RNA)
where:
Base-Base interactions energy: -244.204
where: short stacking energy: -100.395
Base-Backbone interact. energy: -0.640
local terms energy: -101.971667
where:
bonds (distance) C4'-P energy: -19.794
bonds (distance) P-C4' energy: -20.012
flat angles C4'-P-C4' energy: -19.545
flat angles P-C4'-P energy: -16.055
tors. eta vs tors. theta energy: -26.567
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 400
Temperature: 1.000000
Total energy: -312.403996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.403996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.403996 (E_RNA)
where:
Base-Base interactions energy: -222.221
where: short stacking energy: -78.917
Base-Backbone interact. energy: 1.732
local terms energy: -91.914990
where:
bonds (distance) C4'-P energy: -20.589
bonds (distance) P-C4' energy: -20.438
flat angles C4'-P-C4' energy: -16.506
flat angles P-C4'-P energy: -10.505
tors. eta vs tors. theta energy: -23.877
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 400
Temperature: 1.050000
Total energy: -270.932042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.932042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.932042 (E_RNA)
where:
Base-Base interactions energy: -173.915
where: short stacking energy: -90.192
Base-Backbone interact. energy: 0.051
local terms energy: -97.068917
where:
bonds (distance) C4'-P energy: -15.390
bonds (distance) P-C4' energy: -19.647
flat angles C4'-P-C4' energy: -22.060
flat angles P-C4'-P energy: -12.627
tors. eta vs tors. theta energy: -27.346
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 400
Temperature: 1.100000
Total energy: -255.321955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.321955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.321955 (E_RNA)
where:
Base-Base interactions energy: -173.118
where: short stacking energy: -70.663
Base-Backbone interact. energy: -0.402
local terms energy: -81.801924
where:
bonds (distance) C4'-P energy: -18.366
bonds (distance) P-C4' energy: -11.477
flat angles C4'-P-C4' energy: -20.328
flat angles P-C4'-P energy: -15.770
tors. eta vs tors. theta energy: -15.861
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 400
Temperature: 1.150000
Total energy: -248.096647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.096647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.096647 (E_RNA)
where:
Base-Base interactions energy: -167.851
where: short stacking energy: -72.560
Base-Backbone interact. energy: -0.128
local terms energy: -80.117246
where:
bonds (distance) C4'-P energy: -18.005
bonds (distance) P-C4' energy: -16.090
flat angles C4'-P-C4' energy: -20.044
flat angles P-C4'-P energy: -8.905
tors. eta vs tors. theta energy: -17.072
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 400
Temperature: 1.200000
Total energy: -236.558924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.558924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.558924 (E_RNA)
where:
Base-Base interactions energy: -165.408
where: short stacking energy: -71.365
Base-Backbone interact. energy: -0.097
local terms energy: -71.054093
where:
bonds (distance) C4'-P energy: -9.374
bonds (distance) P-C4' energy: -16.729
flat angles C4'-P-C4' energy: -20.646
flat angles P-C4'-P energy: -8.844
tors. eta vs tors. theta energy: -15.461
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 400
Temperature: 1.250000
Total energy: -198.190945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.190945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.190945 (E_RNA)
where:
Base-Base interactions energy: -117.092
where: short stacking energy: -60.614
Base-Backbone interact. energy: -0.340
local terms energy: -80.758810
where:
bonds (distance) C4'-P energy: -18.717
bonds (distance) P-C4' energy: -21.101
flat angles C4'-P-C4' energy: -17.903
flat angles P-C4'-P energy: -10.712
tors. eta vs tors. theta energy: -12.325
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 400
Temperature: 1.300000
Total energy: -170.302888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.302888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.302888 (E_RNA)
where:
Base-Base interactions energy: -94.431
where: short stacking energy: -56.811
Base-Backbone interact. energy: -0.165
local terms energy: -75.706625
where:
bonds (distance) C4'-P energy: -17.327
bonds (distance) P-C4' energy: -13.214
flat angles C4'-P-C4' energy: -20.343
flat angles P-C4'-P energy: -13.995
tors. eta vs tors. theta energy: -10.827
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 400
Temperature: 1.350000
Total energy: -100.845334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.845334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.845334 (E_RNA)
where:
Base-Base interactions energy: -32.973
where: short stacking energy: -31.423
Base-Backbone interact. energy: -0.325
local terms energy: -67.547156
where:
bonds (distance) C4'-P energy: -19.231
bonds (distance) P-C4' energy: -17.116
flat angles C4'-P-C4' energy: -18.783
flat angles P-C4'-P energy: -11.521
tors. eta vs tors. theta energy: -0.897
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 401
Temperature: 0.900000
Total energy: -345.082859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.082859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.082859 (E_RNA)
where:
Base-Base interactions energy: -241.730
where: short stacking energy: -96.186
Base-Backbone interact. energy: -1.286
local terms energy: -102.066753
where:
bonds (distance) C4'-P energy: -18.814
bonds (distance) P-C4' energy: -20.858
flat angles C4'-P-C4' energy: -23.052
flat angles P-C4'-P energy: -16.579
tors. eta vs tors. theta energy: -22.763
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 401
Temperature: 0.950000
Total energy: -338.928691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.928691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.928691 (E_RNA)
where:
Base-Base interactions energy: -239.493
where: short stacking energy: -95.659
Base-Backbone interact. energy: 0.190
local terms energy: -99.625994
where:
bonds (distance) C4'-P energy: -19.850
bonds (distance) P-C4' energy: -20.281
flat angles C4'-P-C4' energy: -21.706
flat angles P-C4'-P energy: -15.283
tors. eta vs tors. theta energy: -22.506
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 401
Temperature: 1.000000
Total energy: -328.856016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.856016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.856016 (E_RNA)
where:
Base-Base interactions energy: -232.020
where: short stacking energy: -91.973
Base-Backbone interact. energy: -1.116
local terms energy: -95.720513
where:
bonds (distance) C4'-P energy: -17.740
bonds (distance) P-C4' energy: -19.163
flat angles C4'-P-C4' energy: -19.131
flat angles P-C4'-P energy: -17.425
tors. eta vs tors. theta energy: -22.262
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 401
Temperature: 1.050000
Total energy: -273.633385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.633385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.633385 (E_RNA)
where:
Base-Base interactions energy: -179.049
where: short stacking energy: -88.440
Base-Backbone interact. energy: -0.604
local terms energy: -93.980693
where:
bonds (distance) C4'-P energy: -15.366
bonds (distance) P-C4' energy: -18.940
flat angles C4'-P-C4' energy: -17.925
flat angles P-C4'-P energy: -14.467
tors. eta vs tors. theta energy: -27.283
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 401
Temperature: 1.100000
Total energy: -243.932382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.932382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.932382 (E_RNA)
where:
Base-Base interactions energy: -164.028
where: short stacking energy: -86.165
Base-Backbone interact. energy: -0.751
local terms energy: -79.153615
where:
bonds (distance) C4'-P energy: -11.069
bonds (distance) P-C4' energy: -18.147
flat angles C4'-P-C4' energy: -16.588
flat angles P-C4'-P energy: -14.752
tors. eta vs tors. theta energy: -18.598
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 401
Temperature: 1.150000
Total energy: -266.036967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.036967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.036967 (E_RNA)
where:
Base-Base interactions energy: -175.446
where: short stacking energy: -78.942
Base-Backbone interact. energy: -0.375
local terms energy: -90.216501
where:
bonds (distance) C4'-P energy: -17.100
bonds (distance) P-C4' energy: -18.494
flat angles C4'-P-C4' energy: -20.674
flat angles P-C4'-P energy: -15.441
tors. eta vs tors. theta energy: -18.509
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 401
Temperature: 1.200000
Total energy: -237.019519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.019519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.019519 (E_RNA)
where:
Base-Base interactions energy: -157.687
where: short stacking energy: -80.900
Base-Backbone interact. energy: -0.045
local terms energy: -79.287937
where:
bonds (distance) C4'-P energy: -15.808
bonds (distance) P-C4' energy: -20.113
flat angles C4'-P-C4' energy: -20.809
flat angles P-C4'-P energy: -4.818
tors. eta vs tors. theta energy: -17.740
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 401
Temperature: 1.250000
Total energy: -206.026015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.026015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.026015 (E_RNA)
where:
Base-Base interactions energy: -130.474
where: short stacking energy: -60.553
Base-Backbone interact. energy: -0.717
local terms energy: -74.835610
where:
bonds (distance) C4'-P energy: -14.470
bonds (distance) P-C4' energy: -14.702
flat angles C4'-P-C4' energy: -21.442
flat angles P-C4'-P energy: -11.311
tors. eta vs tors. theta energy: -12.911
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 401
Temperature: 1.300000
Total energy: -161.520923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.520923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.520923 (E_RNA)
where:
Base-Base interactions energy: -86.405
where: short stacking energy: -45.961
Base-Backbone interact. energy: -0.202
local terms energy: -74.913461
where:
bonds (distance) C4'-P energy: -20.308
bonds (distance) P-C4' energy: -18.153
flat angles C4'-P-C4' energy: -18.446
flat angles P-C4'-P energy: -6.837
tors. eta vs tors. theta energy: -11.170
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 401
Temperature: 1.350000
Total energy: -95.902311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.902311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.902311 (E_RNA)
where:
Base-Base interactions energy: -32.206
where: short stacking energy: -23.515
Base-Backbone interact. energy: 0.152
local terms energy: -63.847649
where:
bonds (distance) C4'-P energy: -18.086
bonds (distance) P-C4' energy: -18.203
flat angles C4'-P-C4' energy: -14.240
flat angles P-C4'-P energy: -13.829
tors. eta vs tors. theta energy: 0.509
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 402
Temperature: 0.900000
Total energy: -352.684117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.684117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.684117 (E_RNA)
where:
Base-Base interactions energy: -248.311
where: short stacking energy: -101.636
Base-Backbone interact. energy: -0.496
local terms energy: -103.876965
where:
bonds (distance) C4'-P energy: -18.304
bonds (distance) P-C4' energy: -18.884
flat angles C4'-P-C4' energy: -21.987
flat angles P-C4'-P energy: -17.984
tors. eta vs tors. theta energy: -26.717
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 402
Temperature: 0.950000
Total energy: -345.106979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.106979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.106979 (E_RNA)
where:
Base-Base interactions energy: -240.329
where: short stacking energy: -91.406
Base-Backbone interact. energy: -0.201
local terms energy: -104.576943
where:
bonds (distance) C4'-P energy: -21.707
bonds (distance) P-C4' energy: -21.548
flat angles C4'-P-C4' energy: -19.453
flat angles P-C4'-P energy: -17.495
tors. eta vs tors. theta energy: -24.374
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 402
Temperature: 1.000000
Total energy: -329.955389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.955389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.955389 (E_RNA)
where:
Base-Base interactions energy: -230.121
where: short stacking energy: -95.531
Base-Backbone interact. energy: -1.038
local terms energy: -98.796393
where:
bonds (distance) C4'-P energy: -19.518
bonds (distance) P-C4' energy: -16.986
flat angles C4'-P-C4' energy: -23.202
flat angles P-C4'-P energy: -11.401
tors. eta vs tors. theta energy: -27.691
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 402
Temperature: 1.050000
Total energy: -270.211439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.211439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.211439 (E_RNA)
where:
Base-Base interactions energy: -185.542
where: short stacking energy: -81.380
Base-Backbone interact. energy: 0.635
local terms energy: -85.304326
where:
bonds (distance) C4'-P energy: -17.164
bonds (distance) P-C4' energy: -18.485
flat angles C4'-P-C4' energy: -21.416
flat angles P-C4'-P energy: -12.289
tors. eta vs tors. theta energy: -15.951
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 402
Temperature: 1.100000
Total energy: -248.046223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.046223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.046223 (E_RNA)
where:
Base-Base interactions energy: -165.914
where: short stacking energy: -87.811
Base-Backbone interact. energy: -0.191
local terms energy: -81.941737
where:
bonds (distance) C4'-P energy: -10.997
bonds (distance) P-C4' energy: -16.708
flat angles C4'-P-C4' energy: -17.111
flat angles P-C4'-P energy: -16.647
tors. eta vs tors. theta energy: -20.479
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 402
Temperature: 1.150000
Total energy: -243.295335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.295335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.295335 (E_RNA)
where:
Base-Base interactions energy: -152.938
where: short stacking energy: -73.170
Base-Backbone interact. energy: -0.419
local terms energy: -89.938460
where:
bonds (distance) C4'-P energy: -20.908
bonds (distance) P-C4' energy: -19.685
flat angles C4'-P-C4' energy: -17.722
flat angles P-C4'-P energy: -11.010
tors. eta vs tors. theta energy: -20.614
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 402
Temperature: 1.200000
Total energy: -241.280391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.280391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.280391 (E_RNA)
where:
Base-Base interactions energy: -156.922
where: short stacking energy: -76.283
Base-Backbone interact. energy: -0.025
local terms energy: -84.333284
where:
bonds (distance) C4'-P energy: -13.585
bonds (distance) P-C4' energy: -22.520
flat angles C4'-P-C4' energy: -18.669
flat angles P-C4'-P energy: -12.364
tors. eta vs tors. theta energy: -17.196
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 402
Temperature: 1.250000
Total energy: -195.814468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.814468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.814468 (E_RNA)
where:
Base-Base interactions energy: -128.641
where: short stacking energy: -69.329
Base-Backbone interact. energy: -0.591
local terms energy: -66.582294
where:
bonds (distance) C4'-P energy: -11.522
bonds (distance) P-C4' energy: -19.106
flat angles C4'-P-C4' energy: -12.703
flat angles P-C4'-P energy: -9.663
tors. eta vs tors. theta energy: -13.589
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 402
Temperature: 1.300000
Total energy: -113.574453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.574453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.574453 (E_RNA)
where:
Base-Base interactions energy: -40.855
where: short stacking energy: -40.955
Base-Backbone interact. energy: -1.475
local terms energy: -71.244356
where:
bonds (distance) C4'-P energy: -19.754
bonds (distance) P-C4' energy: -16.377
flat angles C4'-P-C4' energy: -11.866
flat angles P-C4'-P energy: -11.762
tors. eta vs tors. theta energy: -11.485
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 402
Temperature: 1.350000
Total energy: -154.374116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.374116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.374116 (E_RNA)
where:
Base-Base interactions energy: -92.981
where: short stacking energy: -39.203
Base-Backbone interact. energy: 1.181
local terms energy: -62.573718
where:
bonds (distance) C4'-P energy: -19.940
bonds (distance) P-C4' energy: -18.531
flat angles C4'-P-C4' energy: -5.907
flat angles P-C4'-P energy: -7.516
tors. eta vs tors. theta energy: -10.680
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 403
Temperature: 0.900000
Total energy: -356.412327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.412327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.412327 (E_RNA)
where:
Base-Base interactions energy: -261.206
where: short stacking energy: -107.007
Base-Backbone interact. energy: -0.570
local terms energy: -94.636783
where:
bonds (distance) C4'-P energy: -17.498
bonds (distance) P-C4' energy: -17.005
flat angles C4'-P-C4' energy: -19.003
flat angles P-C4'-P energy: -13.340
tors. eta vs tors. theta energy: -27.790
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 403
Temperature: 0.950000
Total energy: -346.703386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.703386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.703386 (E_RNA)
where:
Base-Base interactions energy: -252.260
where: short stacking energy: -89.744
Base-Backbone interact. energy: -0.659
local terms energy: -93.783762
where:
bonds (distance) C4'-P energy: -19.474
bonds (distance) P-C4' energy: -18.791
flat angles C4'-P-C4' energy: -20.122
flat angles P-C4'-P energy: -12.659
tors. eta vs tors. theta energy: -22.736
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 403
Temperature: 1.000000
Total energy: -314.692958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.692958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.692958 (E_RNA)
where:
Base-Base interactions energy: -223.184
where: short stacking energy: -92.499
Base-Backbone interact. energy: -0.578
local terms energy: -90.930557
where:
bonds (distance) C4'-P energy: -17.608
bonds (distance) P-C4' energy: -19.305
flat angles C4'-P-C4' energy: -14.783
flat angles P-C4'-P energy: -13.190
tors. eta vs tors. theta energy: -26.044
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 403
Temperature: 1.050000
Total energy: -280.747753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.747753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.747753 (E_RNA)
where:
Base-Base interactions energy: -185.843
where: short stacking energy: -83.184
Base-Backbone interact. energy: -1.680
local terms energy: -93.224637
where:
bonds (distance) C4'-P energy: -13.395
bonds (distance) P-C4' energy: -22.958
flat angles C4'-P-C4' energy: -17.740
flat angles P-C4'-P energy: -12.074
tors. eta vs tors. theta energy: -27.057
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 403
Temperature: 1.100000
Total energy: -242.767055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.767055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.767055 (E_RNA)
where:
Base-Base interactions energy: -155.350
where: short stacking energy: -81.833
Base-Backbone interact. energy: -0.196
local terms energy: -87.220969
where:
bonds (distance) C4'-P energy: -15.385
bonds (distance) P-C4' energy: -19.837
flat angles C4'-P-C4' energy: -16.583
flat angles P-C4'-P energy: -12.371
tors. eta vs tors. theta energy: -23.045
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 403
Temperature: 1.150000
Total energy: -249.437059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.437059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.437059 (E_RNA)
where:
Base-Base interactions energy: -163.241
where: short stacking energy: -75.568
Base-Backbone interact. energy: -0.271
local terms energy: -85.925609
where:
bonds (distance) C4'-P energy: -10.525
bonds (distance) P-C4' energy: -21.535
flat angles C4'-P-C4' energy: -17.712
flat angles P-C4'-P energy: -14.642
tors. eta vs tors. theta energy: -21.511
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 403
Temperature: 1.200000
Total energy: -236.025365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.025365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.025365 (E_RNA)
where:
Base-Base interactions energy: -152.709
where: short stacking energy: -66.494
Base-Backbone interact. energy: -0.330
local terms energy: -82.985953
where:
bonds (distance) C4'-P energy: -16.629
bonds (distance) P-C4' energy: -19.184
flat angles C4'-P-C4' energy: -20.430
flat angles P-C4'-P energy: -11.298
tors. eta vs tors. theta energy: -15.444
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 403
Temperature: 1.250000
Total energy: -122.233865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.233865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.233865 (E_RNA)
where:
Base-Base interactions energy: -52.451
where: short stacking energy: -52.272
Base-Backbone interact. energy: -0.334
local terms energy: -69.448158
where:
bonds (distance) C4'-P energy: -21.240
bonds (distance) P-C4' energy: -19.728
flat angles C4'-P-C4' energy: -12.064
flat angles P-C4'-P energy: -10.811
tors. eta vs tors. theta energy: -5.606
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 403
Temperature: 1.300000
Total energy: -180.812673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.812673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.812673 (E_RNA)
where:
Base-Base interactions energy: -119.166
where: short stacking energy: -51.951
Base-Backbone interact. energy: 0.839
local terms energy: -62.485767
where:
bonds (distance) C4'-P energy: -12.841
bonds (distance) P-C4' energy: -22.209
flat angles C4'-P-C4' energy: -13.729
flat angles P-C4'-P energy: -11.488
tors. eta vs tors. theta energy: -2.220
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 403
Temperature: 1.350000
Total energy: -179.744198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.744198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.744198 (E_RNA)
where:
Base-Base interactions energy: -116.012
where: short stacking energy: -46.762
Base-Backbone interact. energy: -0.518
local terms energy: -63.214535
where:
bonds (distance) C4'-P energy: -15.771
bonds (distance) P-C4' energy: -13.602
flat angles C4'-P-C4' energy: -11.634
flat angles P-C4'-P energy: -12.138
tors. eta vs tors. theta energy: -10.069
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 404
Temperature: 0.900000
Total energy: -356.109898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.109898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.109898 (E_RNA)
where:
Base-Base interactions energy: -251.024
where: short stacking energy: -98.753
Base-Backbone interact. energy: 0.448
local terms energy: -105.532960
where:
bonds (distance) C4'-P energy: -16.433
bonds (distance) P-C4' energy: -20.309
flat angles C4'-P-C4' energy: -21.594
flat angles P-C4'-P energy: -19.710
tors. eta vs tors. theta energy: -27.487
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 404
Temperature: 0.950000
Total energy: -350.114867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.114867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.114867 (E_RNA)
where:
Base-Base interactions energy: -245.341
where: short stacking energy: -96.840
Base-Backbone interact. energy: -0.183
local terms energy: -104.590602
where:
bonds (distance) C4'-P energy: -19.422
bonds (distance) P-C4' energy: -20.885
flat angles C4'-P-C4' energy: -25.658
flat angles P-C4'-P energy: -14.321
tors. eta vs tors. theta energy: -24.305
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 404
Temperature: 1.000000
Total energy: -328.319965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.319965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.319965 (E_RNA)
where:
Base-Base interactions energy: -235.661
where: short stacking energy: -95.892
Base-Backbone interact. energy: -0.593
local terms energy: -92.066376
where:
bonds (distance) C4'-P energy: -18.279
bonds (distance) P-C4' energy: -16.050
flat angles C4'-P-C4' energy: -15.335
flat angles P-C4'-P energy: -14.566
tors. eta vs tors. theta energy: -27.836
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 404
Temperature: 1.050000
Total energy: -263.660588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.660588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.660588 (E_RNA)
where:
Base-Base interactions energy: -178.941
where: short stacking energy: -84.637
Base-Backbone interact. energy: -0.827
local terms energy: -83.892514
where:
bonds (distance) C4'-P energy: -15.639
bonds (distance) P-C4' energy: -19.991
flat angles C4'-P-C4' energy: -15.410
flat angles P-C4'-P energy: -7.189
tors. eta vs tors. theta energy: -25.664
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 404
Temperature: 1.100000
Total energy: -257.175103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.175103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.175103 (E_RNA)
where:
Base-Base interactions energy: -163.555
where: short stacking energy: -90.880
Base-Backbone interact. energy: 0.420
local terms energy: -94.040225
where:
bonds (distance) C4'-P energy: -16.701
bonds (distance) P-C4' energy: -20.171
flat angles C4'-P-C4' energy: -21.088
flat angles P-C4'-P energy: -14.612
tors. eta vs tors. theta energy: -21.468
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 404
Temperature: 1.150000
Total energy: -247.458341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.458341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.458341 (E_RNA)
where:
Base-Base interactions energy: -170.271
where: short stacking energy: -82.372
Base-Backbone interact. energy: -0.007
local terms energy: -77.180204
where:
bonds (distance) C4'-P energy: -16.726
bonds (distance) P-C4' energy: -15.389
flat angles C4'-P-C4' energy: -22.316
flat angles P-C4'-P energy: -2.346
tors. eta vs tors. theta energy: -20.403
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 404
Temperature: 1.200000
Total energy: -247.925117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.925117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.925117 (E_RNA)
where:
Base-Base interactions energy: -167.331
where: short stacking energy: -70.266
Base-Backbone interact. energy: -0.490
local terms energy: -80.104515
where:
bonds (distance) C4'-P energy: -15.662
bonds (distance) P-C4' energy: -17.254
flat angles C4'-P-C4' energy: -17.946
flat angles P-C4'-P energy: -10.806
tors. eta vs tors. theta energy: -18.436
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 404
Temperature: 1.250000
Total energy: -121.654283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.654283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.654283 (E_RNA)
where:
Base-Base interactions energy: -50.123
where: short stacking energy: -49.041
Base-Backbone interact. energy: -1.128
local terms energy: -70.403446
where:
bonds (distance) C4'-P energy: -18.547
bonds (distance) P-C4' energy: -19.100
flat angles C4'-P-C4' energy: -15.369
flat angles P-C4'-P energy: -7.680
tors. eta vs tors. theta energy: -9.707
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 404
Temperature: 1.300000
Total energy: -165.878427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.878427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.878427 (E_RNA)
where:
Base-Base interactions energy: -108.827
where: short stacking energy: -45.882
Base-Backbone interact. energy: -0.322
local terms energy: -56.729670
where:
bonds (distance) C4'-P energy: -15.309
bonds (distance) P-C4' energy: -18.763
flat angles C4'-P-C4' energy: -15.596
flat angles P-C4'-P energy: -3.075
tors. eta vs tors. theta energy: -3.987
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 404
Temperature: 1.350000
Total energy: -182.653315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.653315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.653315 (E_RNA)
where:
Base-Base interactions energy: -112.289
where: short stacking energy: -43.143
Base-Backbone interact. energy: -0.335
local terms energy: -70.029115
where:
bonds (distance) C4'-P energy: -16.715
bonds (distance) P-C4' energy: -17.350
flat angles C4'-P-C4' energy: -21.992
flat angles P-C4'-P energy: -11.579
tors. eta vs tors. theta energy: -2.393
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 405
Temperature: 0.900000
Total energy: -351.672175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.672175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.672175 (E_RNA)
where:
Base-Base interactions energy: -247.817
where: short stacking energy: -96.818
Base-Backbone interact. energy: -0.632
local terms energy: -103.222304
where:
bonds (distance) C4'-P energy: -18.815
bonds (distance) P-C4' energy: -22.179
flat angles C4'-P-C4' energy: -20.035
flat angles P-C4'-P energy: -15.241
tors. eta vs tors. theta energy: -26.953
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 405
Temperature: 0.950000
Total energy: -337.761722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.761722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.761722 (E_RNA)
where:
Base-Base interactions energy: -243.270
where: short stacking energy: -86.909
Base-Backbone interact. energy: 0.068
local terms energy: -94.560040
where:
bonds (distance) C4'-P energy: -18.758
bonds (distance) P-C4' energy: -19.634
flat angles C4'-P-C4' energy: -17.306
flat angles P-C4'-P energy: -18.043
tors. eta vs tors. theta energy: -20.818
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 405
Temperature: 1.000000
Total energy: -319.189551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.189551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.189551 (E_RNA)
where:
Base-Base interactions energy: -228.333
where: short stacking energy: -91.427
Base-Backbone interact. energy: -1.668
local terms energy: -89.188338
where:
bonds (distance) C4'-P energy: -12.855
bonds (distance) P-C4' energy: -23.451
flat angles C4'-P-C4' energy: -17.090
flat angles P-C4'-P energy: -12.216
tors. eta vs tors. theta energy: -23.577
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 405
Temperature: 1.050000
Total energy: -271.244085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.244085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.244085 (E_RNA)
where:
Base-Base interactions energy: -182.636
where: short stacking energy: -89.465
Base-Backbone interact. energy: -0.343
local terms energy: -88.265056
where:
bonds (distance) C4'-P energy: -8.331
bonds (distance) P-C4' energy: -19.752
flat angles C4'-P-C4' energy: -21.817
flat angles P-C4'-P energy: -13.290
tors. eta vs tors. theta energy: -25.076
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 405
Temperature: 1.100000
Total energy: -251.424579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.424579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.424579 (E_RNA)
where:
Base-Base interactions energy: -165.600
where: short stacking energy: -85.088
Base-Backbone interact. energy: -0.146
local terms energy: -85.678477
where:
bonds (distance) C4'-P energy: -16.553
bonds (distance) P-C4' energy: -18.465
flat angles C4'-P-C4' energy: -18.487
flat angles P-C4'-P energy: -10.103
tors. eta vs tors. theta energy: -22.071
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 405
Temperature: 1.150000
Total energy: -247.008905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.008905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.008905 (E_RNA)
where:
Base-Base interactions energy: -158.358
where: short stacking energy: -73.806
Base-Backbone interact. energy: -0.829
local terms energy: -87.822172
where:
bonds (distance) C4'-P energy: -18.648
bonds (distance) P-C4' energy: -20.057
flat angles C4'-P-C4' energy: -22.488
flat angles P-C4'-P energy: -13.043
tors. eta vs tors. theta energy: -13.586
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 405
Temperature: 1.200000
Total energy: -215.858955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.858955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.858955 (E_RNA)
where:
Base-Base interactions energy: -138.623
where: short stacking energy: -65.474
Base-Backbone interact. energy: -0.474
local terms energy: -76.762154
where:
bonds (distance) C4'-P energy: -14.893
bonds (distance) P-C4' energy: -15.393
flat angles C4'-P-C4' energy: -14.613
flat angles P-C4'-P energy: -14.285
tors. eta vs tors. theta energy: -17.579
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 405
Temperature: 1.250000
Total energy: -110.345761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.345761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.345761 (E_RNA)
where:
Base-Base interactions energy: -41.831
where: short stacking energy: -41.831
Base-Backbone interact. energy: -0.036
local terms energy: -68.477975
where:
bonds (distance) C4'-P energy: -19.744
bonds (distance) P-C4' energy: -17.283
flat angles C4'-P-C4' energy: -22.863
flat angles P-C4'-P energy: -7.858
tors. eta vs tors. theta energy: -0.730
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 405
Temperature: 1.300000
Total energy: -105.161913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.161913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.161913 (E_RNA)
where:
Base-Base interactions energy: -41.251
where: short stacking energy: -40.667
Base-Backbone interact. energy: -0.182
local terms energy: -63.729158
where:
bonds (distance) C4'-P energy: -16.483
bonds (distance) P-C4' energy: -13.310
flat angles C4'-P-C4' energy: -20.538
flat angles P-C4'-P energy: -5.846
tors. eta vs tors. theta energy: -7.552
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 405
Temperature: 1.350000
Total energy: -177.817876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.817876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.817876 (E_RNA)
where:
Base-Base interactions energy: -107.589
where: short stacking energy: -45.938
Base-Backbone interact. energy: 0.057
local terms energy: -70.286103
where:
bonds (distance) C4'-P energy: -21.298
bonds (distance) P-C4' energy: -12.310
flat angles C4'-P-C4' energy: -22.322
flat angles P-C4'-P energy: -9.070
tors. eta vs tors. theta energy: -5.286
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 406
Temperature: 0.900000
Total energy: -347.273319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.273319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.273319 (E_RNA)
where:
Base-Base interactions energy: -250.947
where: short stacking energy: -100.465
Base-Backbone interact. energy: -0.787
local terms energy: -95.539444
where:
bonds (distance) C4'-P energy: -21.029
bonds (distance) P-C4' energy: -17.779
flat angles C4'-P-C4' energy: -21.537
flat angles P-C4'-P energy: -11.749
tors. eta vs tors. theta energy: -23.446
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 406
Temperature: 0.950000
Total energy: -347.465609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.465609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.465609 (E_RNA)
where:
Base-Base interactions energy: -248.257
where: short stacking energy: -101.082
Base-Backbone interact. energy: 0.043
local terms energy: -99.251869
where:
bonds (distance) C4'-P energy: -20.977
bonds (distance) P-C4' energy: -16.806
flat angles C4'-P-C4' energy: -21.461
flat angles P-C4'-P energy: -13.581
tors. eta vs tors. theta energy: -26.426
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 406
Temperature: 1.000000
Total energy: -321.951664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.951664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.951664 (E_RNA)
where:
Base-Base interactions energy: -225.864
where: short stacking energy: -89.749
Base-Backbone interact. energy: -0.957
local terms energy: -95.130253
where:
bonds (distance) C4'-P energy: -20.698
bonds (distance) P-C4' energy: -20.591
flat angles C4'-P-C4' energy: -22.961
flat angles P-C4'-P energy: -7.041
tors. eta vs tors. theta energy: -23.840
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 406
Temperature: 1.050000
Total energy: -282.863707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.863707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.863707 (E_RNA)
where:
Base-Base interactions energy: -196.021
where: short stacking energy: -87.940
Base-Backbone interact. energy: 0.224
local terms energy: -87.067003
where:
bonds (distance) C4'-P energy: -18.007
bonds (distance) P-C4' energy: -12.320
flat angles C4'-P-C4' energy: -20.316
flat angles P-C4'-P energy: -10.299
tors. eta vs tors. theta energy: -26.125
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 406
Temperature: 1.100000
Total energy: -247.429273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.429273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.429273 (E_RNA)
where:
Base-Base interactions energy: -164.937
where: short stacking energy: -73.936
Base-Backbone interact. energy: 0.467
local terms energy: -82.958416
where:
bonds (distance) C4'-P energy: -16.578
bonds (distance) P-C4' energy: -17.031
flat angles C4'-P-C4' energy: -13.280
flat angles P-C4'-P energy: -14.553
tors. eta vs tors. theta energy: -21.516
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 406
Temperature: 1.150000
Total energy: -239.943929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.943929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.943929 (E_RNA)
where:
Base-Base interactions energy: -159.222
where: short stacking energy: -67.435
Base-Backbone interact. energy: -0.286
local terms energy: -80.435764
where:
bonds (distance) C4'-P energy: -17.906
bonds (distance) P-C4' energy: -17.216
flat angles C4'-P-C4' energy: -16.980
flat angles P-C4'-P energy: -12.052
tors. eta vs tors. theta energy: -16.281
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 406
Temperature: 1.200000
Total energy: -234.533520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.533520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.533520 (E_RNA)
where:
Base-Base interactions energy: -142.530
where: short stacking energy: -77.160
Base-Backbone interact. energy: 0.050
local terms energy: -92.053385
where:
bonds (distance) C4'-P energy: -18.029
bonds (distance) P-C4' energy: -12.756
flat angles C4'-P-C4' energy: -22.317
flat angles P-C4'-P energy: -15.869
tors. eta vs tors. theta energy: -23.082
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 406
Temperature: 1.250000
Total energy: -121.025808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.025808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.025808 (E_RNA)
where:
Base-Base interactions energy: -71.711
where: short stacking energy: -29.420
Base-Backbone interact. energy: 0.280
local terms energy: -49.595189
where:
bonds (distance) C4'-P energy: -10.761
bonds (distance) P-C4' energy: -20.514
flat angles C4'-P-C4' energy: -15.691
flat angles P-C4'-P energy: -8.332
tors. eta vs tors. theta energy: 5.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 406
Temperature: 1.300000
Total energy: -183.189395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.189395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.189395 (E_RNA)
where:
Base-Base interactions energy: -117.412
where: short stacking energy: -58.668
Base-Backbone interact. energy: 4.141
local terms energy: -69.917517
where:
bonds (distance) C4'-P energy: -7.974
bonds (distance) P-C4' energy: -22.906
flat angles C4'-P-C4' energy: -16.054
flat angles P-C4'-P energy: -13.092
tors. eta vs tors. theta energy: -9.892
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 406
Temperature: 1.350000
Total energy: -108.664823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.664823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.664823 (E_RNA)
where:
Base-Base interactions energy: -47.219
where: short stacking energy: -40.507
Base-Backbone interact. energy: 2.452
local terms energy: -63.897880
where:
bonds (distance) C4'-P energy: -18.528
bonds (distance) P-C4' energy: -20.624
flat angles C4'-P-C4' energy: -12.110
flat angles P-C4'-P energy: -6.031
tors. eta vs tors. theta energy: -6.605
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 407
Temperature: 0.900000
Total energy: -350.484291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.484291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.484291 (E_RNA)
where:
Base-Base interactions energy: -251.552
where: short stacking energy: -93.345
Base-Backbone interact. energy: 0.155
local terms energy: -99.087672
where:
bonds (distance) C4'-P energy: -20.075
bonds (distance) P-C4' energy: -19.169
flat angles C4'-P-C4' energy: -23.565
flat angles P-C4'-P energy: -13.838
tors. eta vs tors. theta energy: -22.440
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 407
Temperature: 0.950000
Total energy: -339.664342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.664342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.664342 (E_RNA)
where:
Base-Base interactions energy: -246.537
where: short stacking energy: -96.678
Base-Backbone interact. energy: -0.986
local terms energy: -92.140720
where:
bonds (distance) C4'-P energy: -20.416
bonds (distance) P-C4' energy: -22.965
flat angles C4'-P-C4' energy: -16.101
flat angles P-C4'-P energy: -10.466
tors. eta vs tors. theta energy: -22.194
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 407
Temperature: 1.000000
Total energy: -327.233562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.233562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.233562 (E_RNA)
where:
Base-Base interactions energy: -226.084
where: short stacking energy: -93.341
Base-Backbone interact. energy: -1.197
local terms energy: -99.952648
where:
bonds (distance) C4'-P energy: -20.374
bonds (distance) P-C4' energy: -20.566
flat angles C4'-P-C4' energy: -21.933
flat angles P-C4'-P energy: -12.802
tors. eta vs tors. theta energy: -24.277
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 407
Temperature: 1.050000
Total energy: -266.160384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.160384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.160384 (E_RNA)
where:
Base-Base interactions energy: -181.976
where: short stacking energy: -84.097
Base-Backbone interact. energy: -0.689
local terms energy: -83.495174
where:
bonds (distance) C4'-P energy: -11.862
bonds (distance) P-C4' energy: -19.421
flat angles C4'-P-C4' energy: -18.956
flat angles P-C4'-P energy: -8.789
tors. eta vs tors. theta energy: -24.466
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 407
Temperature: 1.100000
Total energy: -257.959508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.959508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.959508 (E_RNA)
where:
Base-Base interactions energy: -177.193
where: short stacking energy: -81.849
Base-Backbone interact. energy: -0.053
local terms energy: -80.713156
where:
bonds (distance) C4'-P energy: -9.927
bonds (distance) P-C4' energy: -19.441
flat angles C4'-P-C4' energy: -16.222
flat angles P-C4'-P energy: -12.089
tors. eta vs tors. theta energy: -23.034
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 407
Temperature: 1.150000
Total energy: -230.731084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.731084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.731084 (E_RNA)
where:
Base-Base interactions energy: -160.360
where: short stacking energy: -69.389
Base-Backbone interact. energy: -0.098
local terms energy: -70.273053
where:
bonds (distance) C4'-P energy: -12.309
bonds (distance) P-C4' energy: -15.307
flat angles C4'-P-C4' energy: -19.750
flat angles P-C4'-P energy: -10.247
tors. eta vs tors. theta energy: -12.661
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 407
Temperature: 1.200000
Total energy: -221.549596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.549596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.549596 (E_RNA)
where:
Base-Base interactions energy: -139.425
where: short stacking energy: -50.903
Base-Backbone interact. energy: -0.061
local terms energy: -82.063005
where:
bonds (distance) C4'-P energy: -19.981
bonds (distance) P-C4' energy: -22.874
flat angles C4'-P-C4' energy: -21.017
flat angles P-C4'-P energy: -12.055
tors. eta vs tors. theta energy: -6.135
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 407
Temperature: 1.250000
Total energy: -215.604182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.604182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.604182 (E_RNA)
where:
Base-Base interactions energy: -149.864
where: short stacking energy: -68.115
Base-Backbone interact. energy: -0.388
local terms energy: -65.352241
where:
bonds (distance) C4'-P energy: -13.307
bonds (distance) P-C4' energy: -13.792
flat angles C4'-P-C4' energy: -15.531
flat angles P-C4'-P energy: -13.051
tors. eta vs tors. theta energy: -9.672
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 407
Temperature: 1.300000
Total energy: -113.473605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.473605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.473605 (E_RNA)
where:
Base-Base interactions energy: -69.348
where: short stacking energy: -39.339
Base-Backbone interact. energy: -1.208
local terms energy: -42.918072
where:
bonds (distance) C4'-P energy: -6.534
bonds (distance) P-C4' energy: -16.416
flat angles C4'-P-C4' energy: -8.912
flat angles P-C4'-P energy: -7.673
tors. eta vs tors. theta energy: -3.383
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 407
Temperature: 1.350000
Total energy: -99.538188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.538188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.538188 (E_RNA)
where:
Base-Base interactions energy: -53.277
where: short stacking energy: -45.650
Base-Backbone interact. energy: 2.375
local terms energy: -48.636000
where:
bonds (distance) C4'-P energy: -16.355
bonds (distance) P-C4' energy: -9.926
flat angles C4'-P-C4' energy: -10.155
flat angles P-C4'-P energy: -8.045
tors. eta vs tors. theta energy: -4.155
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 408
Temperature: 0.900000
Total energy: -355.517216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.517216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.517216 (E_RNA)
where:
Base-Base interactions energy: -261.951
where: short stacking energy: -101.211
Base-Backbone interact. energy: 1.660
local terms energy: -95.225985
where:
bonds (distance) C4'-P energy: -16.629
bonds (distance) P-C4' energy: -23.135
flat angles C4'-P-C4' energy: -18.580
flat angles P-C4'-P energy: -12.516
tors. eta vs tors. theta energy: -24.366
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 408
Temperature: 0.950000
Total energy: -347.207728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.207728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.207728 (E_RNA)
where:
Base-Base interactions energy: -249.893
where: short stacking energy: -98.357
Base-Backbone interact. energy: 0.312
local terms energy: -97.626750
where:
bonds (distance) C4'-P energy: -15.815
bonds (distance) P-C4' energy: -20.862
flat angles C4'-P-C4' energy: -23.042
flat angles P-C4'-P energy: -13.045
tors. eta vs tors. theta energy: -24.863
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 408
Temperature: 1.000000
Total energy: -319.445803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.445803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.445803 (E_RNA)
where:
Base-Base interactions energy: -222.227
where: short stacking energy: -87.910
Base-Backbone interact. energy: -0.882
local terms energy: -96.337308
where:
bonds (distance) C4'-P energy: -20.509
bonds (distance) P-C4' energy: -20.810
flat angles C4'-P-C4' energy: -19.511
flat angles P-C4'-P energy: -8.684
tors. eta vs tors. theta energy: -26.823
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 408
Temperature: 1.050000
Total energy: -264.779499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.779499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.779499 (E_RNA)
where:
Base-Base interactions energy: -177.065
where: short stacking energy: -78.990
Base-Backbone interact. energy: -0.032
local terms energy: -87.682823
where:
bonds (distance) C4'-P energy: -16.573
bonds (distance) P-C4' energy: -19.014
flat angles C4'-P-C4' energy: -18.979
flat angles P-C4'-P energy: -11.959
tors. eta vs tors. theta energy: -21.158
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 408
Temperature: 1.100000
Total energy: -250.228553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.228553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.228553 (E_RNA)
where:
Base-Base interactions energy: -160.981
where: short stacking energy: -83.809
Base-Backbone interact. energy: -1.791
local terms energy: -87.456481
where:
bonds (distance) C4'-P energy: -19.613
bonds (distance) P-C4' energy: -20.800
flat angles C4'-P-C4' energy: -17.627
flat angles P-C4'-P energy: -12.127
tors. eta vs tors. theta energy: -17.291
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 408
Temperature: 1.150000
Total energy: -251.903004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.903004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.903004 (E_RNA)
where:
Base-Base interactions energy: -165.665
where: short stacking energy: -72.603
Base-Backbone interact. energy: 0.010
local terms energy: -86.248046
where:
bonds (distance) C4'-P energy: -17.711
bonds (distance) P-C4' energy: -16.894
flat angles C4'-P-C4' energy: -18.988
flat angles P-C4'-P energy: -14.375
tors. eta vs tors. theta energy: -18.280
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 408
Temperature: 1.200000
Total energy: -239.788410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.788410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.788410 (E_RNA)
where:
Base-Base interactions energy: -181.632
where: short stacking energy: -75.603
Base-Backbone interact. energy: -0.115
local terms energy: -58.040863
where:
bonds (distance) C4'-P energy: -3.803
bonds (distance) P-C4' energy: -18.756
flat angles C4'-P-C4' energy: -15.058
flat angles P-C4'-P energy: -7.381
tors. eta vs tors. theta energy: -13.042
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 408
Temperature: 1.250000
Total energy: -224.654469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.654469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.654469 (E_RNA)
where:
Base-Base interactions energy: -152.100
where: short stacking energy: -58.227
Base-Backbone interact. energy: 1.131
local terms energy: -73.685083
where:
bonds (distance) C4'-P energy: -15.778
bonds (distance) P-C4' energy: -13.979
flat angles C4'-P-C4' energy: -19.175
flat angles P-C4'-P energy: -14.552
tors. eta vs tors. theta energy: -10.201
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 408
Temperature: 1.300000
Total energy: -115.324173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.324173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.324173 (E_RNA)
where:
Base-Base interactions energy: -59.862
where: short stacking energy: -41.075
Base-Backbone interact. energy: 2.965
local terms energy: -58.427134
where:
bonds (distance) C4'-P energy: -12.740
bonds (distance) P-C4' energy: -17.643
flat angles C4'-P-C4' energy: -11.610
flat angles P-C4'-P energy: -11.948
tors. eta vs tors. theta energy: -4.487
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 408
Temperature: 1.350000
Total energy: -96.475681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.475681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.475681 (E_RNA)
where:
Base-Base interactions energy: -37.142
where: short stacking energy: -31.589
Base-Backbone interact. energy: 4.790
local terms energy: -64.123969
where:
bonds (distance) C4'-P energy: -13.105
bonds (distance) P-C4' energy: -20.201
flat angles C4'-P-C4' energy: -19.116
flat angles P-C4'-P energy: -13.191
tors. eta vs tors. theta energy: 1.489
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 409
Temperature: 0.900000
Total energy: -353.159229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.159229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.159229 (E_RNA)
where:
Base-Base interactions energy: -251.752
where: short stacking energy: -102.271
Base-Backbone interact. energy: 0.049
local terms energy: -101.456521
where:
bonds (distance) C4'-P energy: -19.269
bonds (distance) P-C4' energy: -18.953
flat angles C4'-P-C4' energy: -23.545
flat angles P-C4'-P energy: -14.357
tors. eta vs tors. theta energy: -25.333
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 409
Temperature: 0.950000
Total energy: -326.099437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.099437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.099437 (E_RNA)
where:
Base-Base interactions energy: -229.038
where: short stacking energy: -99.522
Base-Backbone interact. energy: -0.441
local terms energy: -96.620197
where:
bonds (distance) C4'-P energy: -15.979
bonds (distance) P-C4' energy: -21.623
flat angles C4'-P-C4' energy: -20.381
flat angles P-C4'-P energy: -13.978
tors. eta vs tors. theta energy: -24.660
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 409
Temperature: 1.000000
Total energy: -332.973441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.973441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.973441 (E_RNA)
where:
Base-Base interactions energy: -235.863
where: short stacking energy: -94.081
Base-Backbone interact. energy: -0.053
local terms energy: -97.057484
where:
bonds (distance) C4'-P energy: -19.504
bonds (distance) P-C4' energy: -18.707
flat angles C4'-P-C4' energy: -19.830
flat angles P-C4'-P energy: -14.018
tors. eta vs tors. theta energy: -24.998
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 409
Temperature: 1.050000
Total energy: -269.180090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.180090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.180090 (E_RNA)
where:
Base-Base interactions energy: -179.390
where: short stacking energy: -87.680
Base-Backbone interact. energy: -0.764
local terms energy: -89.025916
where:
bonds (distance) C4'-P energy: -19.176
bonds (distance) P-C4' energy: -11.022
flat angles C4'-P-C4' energy: -16.622
flat angles P-C4'-P energy: -17.347
tors. eta vs tors. theta energy: -24.859
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 409
Temperature: 1.100000
Total energy: -257.696755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.696755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.696755 (E_RNA)
where:
Base-Base interactions energy: -169.612
where: short stacking energy: -87.557
Base-Backbone interact. energy: -0.128
local terms energy: -87.956711
where:
bonds (distance) C4'-P energy: -15.849
bonds (distance) P-C4' energy: -17.643
flat angles C4'-P-C4' energy: -19.550
flat angles P-C4'-P energy: -13.866
tors. eta vs tors. theta energy: -21.048
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 409
Temperature: 1.150000
Total energy: -247.028733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.028733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.028733 (E_RNA)
where:
Base-Base interactions energy: -164.178
where: short stacking energy: -66.152
Base-Backbone interact. energy: -0.448
local terms energy: -82.402765
where:
bonds (distance) C4'-P energy: -19.755
bonds (distance) P-C4' energy: -15.368
flat angles C4'-P-C4' energy: -16.755
flat angles P-C4'-P energy: -13.436
tors. eta vs tors. theta energy: -17.088
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 409
Temperature: 1.200000
Total energy: -222.366230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.366230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.366230 (E_RNA)
where:
Base-Base interactions energy: -139.623
where: short stacking energy: -65.995
Base-Backbone interact. energy: 0.556
local terms energy: -83.299327
where:
bonds (distance) C4'-P energy: -15.686
bonds (distance) P-C4' energy: -19.752
flat angles C4'-P-C4' energy: -22.233
flat angles P-C4'-P energy: -13.436
tors. eta vs tors. theta energy: -12.192
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 409
Temperature: 1.250000
Total energy: -246.668422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.668422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.668422 (E_RNA)
where:
Base-Base interactions energy: -173.143
where: short stacking energy: -77.697
Base-Backbone interact. energy: -0.037
local terms energy: -73.488366
where:
bonds (distance) C4'-P energy: -8.945
bonds (distance) P-C4' energy: -16.926
flat angles C4'-P-C4' energy: -18.855
flat angles P-C4'-P energy: -14.765
tors. eta vs tors. theta energy: -13.997
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 409
Temperature: 1.300000
Total energy: -107.620509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.620509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.620509 (E_RNA)
where:
Base-Base interactions energy: -48.474
where: short stacking energy: -48.474
Base-Backbone interact. energy: 1.672
local terms energy: -60.817804
where:
bonds (distance) C4'-P energy: -20.535
bonds (distance) P-C4' energy: -14.456
flat angles C4'-P-C4' energy: -17.661
flat angles P-C4'-P energy: -1.621
tors. eta vs tors. theta energy: -6.545
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 409
Temperature: 1.350000
Total energy: -99.137000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.137000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.137000 (E_RNA)
where:
Base-Base interactions energy: -33.103
where: short stacking energy: -27.320
Base-Backbone interact. energy: -1.127
local terms energy: -64.907524
where:
bonds (distance) C4'-P energy: -20.657
bonds (distance) P-C4' energy: -15.977
flat angles C4'-P-C4' energy: -16.392
flat angles P-C4'-P energy: -12.989
tors. eta vs tors. theta energy: 1.108
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 410
Temperature: 0.900000
Total energy: -356.674539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.674539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.674539 (E_RNA)
where:
Base-Base interactions energy: -255.073
where: short stacking energy: -100.118
Base-Backbone interact. energy: -0.328
local terms energy: -101.273785
where:
bonds (distance) C4'-P energy: -21.433
bonds (distance) P-C4' energy: -22.707
flat angles C4'-P-C4' energy: -21.090
flat angles P-C4'-P energy: -12.422
tors. eta vs tors. theta energy: -23.622
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 410
Temperature: 0.950000
Total energy: -335.503353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.503353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.503353 (E_RNA)
where:
Base-Base interactions energy: -238.615
where: short stacking energy: -101.841
Base-Backbone interact. energy: -0.875
local terms energy: -96.014226
where:
bonds (distance) C4'-P energy: -15.703
bonds (distance) P-C4' energy: -19.885
flat angles C4'-P-C4' energy: -21.162
flat angles P-C4'-P energy: -13.786
tors. eta vs tors. theta energy: -25.479
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 410
Temperature: 1.000000
Total energy: -339.533621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.533621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.533621 (E_RNA)
where:
Base-Base interactions energy: -248.562
where: short stacking energy: -98.544
Base-Backbone interact. energy: -0.341
local terms energy: -90.629952
where:
bonds (distance) C4'-P energy: -20.479
bonds (distance) P-C4' energy: -15.856
flat angles C4'-P-C4' energy: -17.547
flat angles P-C4'-P energy: -13.661
tors. eta vs tors. theta energy: -23.087
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 410
Temperature: 1.050000
Total energy: -272.899026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.899026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.899026 (E_RNA)
where:
Base-Base interactions energy: -180.682
where: short stacking energy: -81.080
Base-Backbone interact. energy: -0.241
local terms energy: -91.975262
where:
bonds (distance) C4'-P energy: -18.520
bonds (distance) P-C4' energy: -19.688
flat angles C4'-P-C4' energy: -14.174
flat angles P-C4'-P energy: -15.341
tors. eta vs tors. theta energy: -24.253
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 410
Temperature: 1.100000
Total energy: -256.873114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.873114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.873114 (E_RNA)
where:
Base-Base interactions energy: -179.192
where: short stacking energy: -86.158
Base-Backbone interact. energy: -0.285
local terms energy: -77.396132
where:
bonds (distance) C4'-P energy: -10.914
bonds (distance) P-C4' energy: -19.469
flat angles C4'-P-C4' energy: -12.244
flat angles P-C4'-P energy: -13.624
tors. eta vs tors. theta energy: -21.145
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 410
Temperature: 1.150000
Total energy: -242.286980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.286980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.286980 (E_RNA)
where:
Base-Base interactions energy: -150.655
where: short stacking energy: -76.698
Base-Backbone interact. energy: 0.003
local terms energy: -91.635444
where:
bonds (distance) C4'-P energy: -11.737
bonds (distance) P-C4' energy: -22.828
flat angles C4'-P-C4' energy: -22.895
flat angles P-C4'-P energy: -9.759
tors. eta vs tors. theta energy: -24.417
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 410
Temperature: 1.200000
Total energy: -232.991455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.991455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.991455 (E_RNA)
where:
Base-Base interactions energy: -150.827
where: short stacking energy: -75.260
Base-Backbone interact. energy: -0.155
local terms energy: -82.009256
where:
bonds (distance) C4'-P energy: -17.392
bonds (distance) P-C4' energy: -19.608
flat angles C4'-P-C4' energy: -17.379
flat angles P-C4'-P energy: -12.924
tors. eta vs tors. theta energy: -14.707
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 410
Temperature: 1.250000
Total energy: -221.645506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.645506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.645506 (E_RNA)
where:
Base-Base interactions energy: -156.091
where: short stacking energy: -61.607
Base-Backbone interact. energy: -1.369
local terms energy: -64.185339
where:
bonds (distance) C4'-P energy: -8.944
bonds (distance) P-C4' energy: -17.665
flat angles C4'-P-C4' energy: -19.557
flat angles P-C4'-P energy: -6.539
tors. eta vs tors. theta energy: -11.481
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 410
Temperature: 1.300000
Total energy: -110.226260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.226260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.226260 (E_RNA)
where:
Base-Base interactions energy: -54.779
where: short stacking energy: -54.779
Base-Backbone interact. energy: -0.150
local terms energy: -55.297000
where:
bonds (distance) C4'-P energy: -15.938
bonds (distance) P-C4' energy: -14.212
flat angles C4'-P-C4' energy: -12.017
flat angles P-C4'-P energy: -0.757
tors. eta vs tors. theta energy: -12.373
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 410
Temperature: 1.350000
Total energy: -113.440176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.440176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.440176 (E_RNA)
where:
Base-Base interactions energy: -62.830
where: short stacking energy: -35.317
Base-Backbone interact. energy: -0.141
local terms energy: -50.469937
where:
bonds (distance) C4'-P energy: -16.594
bonds (distance) P-C4' energy: -12.576
flat angles C4'-P-C4' energy: -16.533
flat angles P-C4'-P energy: -2.837
tors. eta vs tors. theta energy: -1.930
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 411
Temperature: 0.900000
Total energy: -361.944283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.944283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.944283 (E_RNA)
where:
Base-Base interactions energy: -254.831
where: short stacking energy: -101.357
Base-Backbone interact. energy: -0.299
local terms energy: -106.813758
where:
bonds (distance) C4'-P energy: -19.902
bonds (distance) P-C4' energy: -19.310
flat angles C4'-P-C4' energy: -23.326
flat angles P-C4'-P energy: -16.527
tors. eta vs tors. theta energy: -27.748
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 411
Temperature: 0.950000
Total energy: -344.802486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.802486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.802486 (E_RNA)
where:
Base-Base interactions energy: -246.313
where: short stacking energy: -94.813
Base-Backbone interact. energy: -0.704
local terms energy: -97.785568
where:
bonds (distance) C4'-P energy: -18.244
bonds (distance) P-C4' energy: -18.097
flat angles C4'-P-C4' energy: -21.330
flat angles P-C4'-P energy: -15.990
tors. eta vs tors. theta energy: -24.124
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 411
Temperature: 1.000000
Total energy: -318.346867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.346867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.346867 (E_RNA)
where:
Base-Base interactions energy: -221.834
where: short stacking energy: -93.211
Base-Backbone interact. energy: -0.839
local terms energy: -95.674045
where:
bonds (distance) C4'-P energy: -20.133
bonds (distance) P-C4' energy: -20.604
flat angles C4'-P-C4' energy: -17.588
flat angles P-C4'-P energy: -13.034
tors. eta vs tors. theta energy: -24.315
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 411
Temperature: 1.050000
Total energy: -259.934222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.934222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.934222 (E_RNA)
where:
Base-Base interactions energy: -179.380
where: short stacking energy: -74.844
Base-Backbone interact. energy: 0.475
local terms energy: -81.029092
where:
bonds (distance) C4'-P energy: -14.442
bonds (distance) P-C4' energy: -17.822
flat angles C4'-P-C4' energy: -18.841
flat angles P-C4'-P energy: -9.695
tors. eta vs tors. theta energy: -20.230
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 411
Temperature: 1.100000
Total energy: -254.157256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.157256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.157256 (E_RNA)
where:
Base-Base interactions energy: -169.536
where: short stacking energy: -70.306
Base-Backbone interact. energy: -0.553
local terms energy: -84.068063
where:
bonds (distance) C4'-P energy: -17.870
bonds (distance) P-C4' energy: -19.156
flat angles C4'-P-C4' energy: -17.507
flat angles P-C4'-P energy: -15.329
tors. eta vs tors. theta energy: -14.206
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 411
Temperature: 1.150000
Total energy: -250.346400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.346400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.346400 (E_RNA)
where:
Base-Base interactions energy: -158.917
where: short stacking energy: -71.086
Base-Backbone interact. energy: 0.669
local terms energy: -92.098193
where:
bonds (distance) C4'-P energy: -19.409
bonds (distance) P-C4' energy: -16.964
flat angles C4'-P-C4' energy: -21.537
flat angles P-C4'-P energy: -13.293
tors. eta vs tors. theta energy: -20.895
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 411
Temperature: 1.200000
Total energy: -228.505959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.505959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.505959 (E_RNA)
where:
Base-Base interactions energy: -146.143
where: short stacking energy: -65.287
Base-Backbone interact. energy: -0.446
local terms energy: -81.917504
where:
bonds (distance) C4'-P energy: -18.808
bonds (distance) P-C4' energy: -21.497
flat angles C4'-P-C4' energy: -15.182
flat angles P-C4'-P energy: -14.372
tors. eta vs tors. theta energy: -12.058
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 411
Temperature: 1.250000
Total energy: -235.147027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.147027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.147027 (E_RNA)
where:
Base-Base interactions energy: -152.184
where: short stacking energy: -66.179
Base-Backbone interact. energy: -1.733
local terms energy: -81.229837
where:
bonds (distance) C4'-P energy: -13.340
bonds (distance) P-C4' energy: -22.240
flat angles C4'-P-C4' energy: -18.861
flat angles P-C4'-P energy: -9.126
tors. eta vs tors. theta energy: -17.662
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 411
Temperature: 1.300000
Total energy: -98.283322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.283322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.283322 (E_RNA)
where:
Base-Base interactions energy: -43.099
where: short stacking energy: -33.803
Base-Backbone interact. energy: -0.029
local terms energy: -55.155491
where:
bonds (distance) C4'-P energy: -14.391
bonds (distance) P-C4' energy: -20.141
flat angles C4'-P-C4' energy: -13.903
flat angles P-C4'-P energy: -4.790
tors. eta vs tors. theta energy: -1.930
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 411
Temperature: 1.350000
Total energy: -99.170249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.170249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.170249 (E_RNA)
where:
Base-Base interactions energy: -38.092
where: short stacking energy: -36.046
Base-Backbone interact. energy: -0.623
local terms energy: -60.455450
where:
bonds (distance) C4'-P energy: -18.615
bonds (distance) P-C4' energy: -16.222
flat angles C4'-P-C4' energy: -12.996
flat angles P-C4'-P energy: -13.291
tors. eta vs tors. theta energy: 0.669
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 412
Temperature: 0.900000
Total energy: -342.650861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.650861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.650861 (E_RNA)
where:
Base-Base interactions energy: -246.472
where: short stacking energy: -104.077
Base-Backbone interact. energy: 0.165
local terms energy: -96.343901
where:
bonds (distance) C4'-P energy: -14.976
bonds (distance) P-C4' energy: -15.665
flat angles C4'-P-C4' energy: -22.554
flat angles P-C4'-P energy: -17.081
tors. eta vs tors. theta energy: -26.068
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 412
Temperature: 0.950000
Total energy: -359.505106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.505106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.505106 (E_RNA)
where:
Base-Base interactions energy: -262.442
where: short stacking energy: -105.069
Base-Backbone interact. energy: -0.375
local terms energy: -96.688026
where:
bonds (distance) C4'-P energy: -23.227
bonds (distance) P-C4' energy: -19.251
flat angles C4'-P-C4' energy: -18.499
flat angles P-C4'-P energy: -12.880
tors. eta vs tors. theta energy: -22.831
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 412
Temperature: 1.000000
Total energy: -332.641896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.641896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.641896 (E_RNA)
where:
Base-Base interactions energy: -241.641
where: short stacking energy: -99.773
Base-Backbone interact. energy: -0.384
local terms energy: -90.616699
where:
bonds (distance) C4'-P energy: -15.476
bonds (distance) P-C4' energy: -19.619
flat angles C4'-P-C4' energy: -18.242
flat angles P-C4'-P energy: -13.475
tors. eta vs tors. theta energy: -23.804
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 412
Temperature: 1.050000
Total energy: -272.346522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.346522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.346522 (E_RNA)
where:
Base-Base interactions energy: -185.713
where: short stacking energy: -75.020
Base-Backbone interact. energy: 0.140
local terms energy: -86.773972
where:
bonds (distance) C4'-P energy: -14.380
bonds (distance) P-C4' energy: -20.270
flat angles C4'-P-C4' energy: -19.940
flat angles P-C4'-P energy: -11.002
tors. eta vs tors. theta energy: -21.182
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 412
Temperature: 1.100000
Total energy: -244.038755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.038755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.038755 (E_RNA)
where:
Base-Base interactions energy: -160.172
where: short stacking energy: -72.731
Base-Backbone interact. energy: -0.089
local terms energy: -83.777878
where:
bonds (distance) C4'-P energy: -17.509
bonds (distance) P-C4' energy: -19.888
flat angles C4'-P-C4' energy: -13.630
flat angles P-C4'-P energy: -16.600
tors. eta vs tors. theta energy: -16.151
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 412
Temperature: 1.150000
Total energy: -255.954801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.954801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.954801 (E_RNA)
where:
Base-Base interactions energy: -168.436
where: short stacking energy: -85.681
Base-Backbone interact. energy: -0.489
local terms energy: -87.030682
where:
bonds (distance) C4'-P energy: -17.486
bonds (distance) P-C4' energy: -22.211
flat angles C4'-P-C4' energy: -16.010
flat angles P-C4'-P energy: -12.427
tors. eta vs tors. theta energy: -18.897
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 412
Temperature: 1.200000
Total energy: -228.747602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.747602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.747602 (E_RNA)
where:
Base-Base interactions energy: -150.829
where: short stacking energy: -54.708
Base-Backbone interact. energy: -0.149
local terms energy: -77.770003
where:
bonds (distance) C4'-P energy: -16.230
bonds (distance) P-C4' energy: -20.827
flat angles C4'-P-C4' energy: -18.524
flat angles P-C4'-P energy: -9.469
tors. eta vs tors. theta energy: -12.720
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 412
Temperature: 1.250000
Total energy: -213.467032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.467032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.467032 (E_RNA)
where:
Base-Base interactions energy: -148.432
where: short stacking energy: -70.417
Base-Backbone interact. energy: -0.019
local terms energy: -65.016004
where:
bonds (distance) C4'-P energy: -13.103
bonds (distance) P-C4' energy: -12.176
flat angles C4'-P-C4' energy: -20.699
flat angles P-C4'-P energy: -4.996
tors. eta vs tors. theta energy: -14.042
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 412
Temperature: 1.300000
Total energy: -111.407874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.407874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.407874 (E_RNA)
where:
Base-Base interactions energy: -46.215
where: short stacking energy: -43.471
Base-Backbone interact. energy: -0.237
local terms energy: -64.955619
where:
bonds (distance) C4'-P energy: -18.338
bonds (distance) P-C4' energy: -18.594
flat angles C4'-P-C4' energy: -20.304
flat angles P-C4'-P energy: -2.887
tors. eta vs tors. theta energy: -4.832
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 412
Temperature: 1.350000
Total energy: -151.962878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.962878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.962878 (E_RNA)
where:
Base-Base interactions energy: -92.280
where: short stacking energy: -47.243
Base-Backbone interact. energy: -0.274
local terms energy: -59.408360
where:
bonds (distance) C4'-P energy: -10.223
bonds (distance) P-C4' energy: -19.247
flat angles C4'-P-C4' energy: -16.151
flat angles P-C4'-P energy: -11.551
tors. eta vs tors. theta energy: -2.236
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 413
Temperature: 0.900000
Total energy: -346.992158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.992158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.992158 (E_RNA)
where:
Base-Base interactions energy: -244.545
where: short stacking energy: -100.707
Base-Backbone interact. energy: -0.816
local terms energy: -101.630506
where:
bonds (distance) C4'-P energy: -18.823
bonds (distance) P-C4' energy: -23.486
flat angles C4'-P-C4' energy: -19.670
flat angles P-C4'-P energy: -13.430
tors. eta vs tors. theta energy: -26.222
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 413
Temperature: 0.950000
Total energy: -345.992155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.992155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.992155 (E_RNA)
where:
Base-Base interactions energy: -242.871
where: short stacking energy: -91.943
Base-Backbone interact. energy: -0.737
local terms energy: -102.384082
where:
bonds (distance) C4'-P energy: -17.649
bonds (distance) P-C4' energy: -20.500
flat angles C4'-P-C4' energy: -23.430
flat angles P-C4'-P energy: -15.969
tors. eta vs tors. theta energy: -24.837
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 413
Temperature: 1.000000
Total energy: -315.406385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.406385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.406385 (E_RNA)
where:
Base-Base interactions energy: -222.216
where: short stacking energy: -89.331
Base-Backbone interact. energy: -0.870
local terms energy: -92.319841
where:
bonds (distance) C4'-P energy: -16.961
bonds (distance) P-C4' energy: -18.530
flat angles C4'-P-C4' energy: -22.094
flat angles P-C4'-P energy: -14.275
tors. eta vs tors. theta energy: -20.459
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 413
Temperature: 1.050000
Total energy: -271.430565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.430565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.430565 (E_RNA)
where:
Base-Base interactions energy: -194.196
where: short stacking energy: -79.498
Base-Backbone interact. energy: -0.906
local terms energy: -76.328766
where:
bonds (distance) C4'-P energy: -17.054
bonds (distance) P-C4' energy: -16.539
flat angles C4'-P-C4' energy: -15.598
flat angles P-C4'-P energy: -7.309
tors. eta vs tors. theta energy: -19.828
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 413
Temperature: 1.100000
Total energy: -246.212856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.212856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.212856 (E_RNA)
where:
Base-Base interactions energy: -166.553
where: short stacking energy: -74.512
Base-Backbone interact. energy: 0.209
local terms energy: -79.868531
where:
bonds (distance) C4'-P energy: -19.861
bonds (distance) P-C4' energy: -19.266
flat angles C4'-P-C4' energy: -18.112
flat angles P-C4'-P energy: -8.042
tors. eta vs tors. theta energy: -14.589
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 413
Temperature: 1.150000
Total energy: -242.489147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.489147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.489147 (E_RNA)
where:
Base-Base interactions energy: -165.342
where: short stacking energy: -72.206
Base-Backbone interact. energy: -0.380
local terms energy: -76.766587
where:
bonds (distance) C4'-P energy: -15.925
bonds (distance) P-C4' energy: -20.101
flat angles C4'-P-C4' energy: -15.755
flat angles P-C4'-P energy: -11.395
tors. eta vs tors. theta energy: -13.591
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 413
Temperature: 1.200000
Total energy: -245.192987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.192987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.192987 (E_RNA)
where:
Base-Base interactions energy: -168.900
where: short stacking energy: -74.061
Base-Backbone interact. energy: -0.161
local terms energy: -76.132456
where:
bonds (distance) C4'-P energy: -18.540
bonds (distance) P-C4' energy: -15.985
flat angles C4'-P-C4' energy: -20.824
flat angles P-C4'-P energy: -5.652
tors. eta vs tors. theta energy: -15.132
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 413
Temperature: 1.250000
Total energy: -230.616498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.616498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.616498 (E_RNA)
where:
Base-Base interactions energy: -148.161
where: short stacking energy: -70.295
Base-Backbone interact. energy: -0.363
local terms energy: -82.092052
where:
bonds (distance) C4'-P energy: -17.115
bonds (distance) P-C4' energy: -20.814
flat angles C4'-P-C4' energy: -18.313
flat angles P-C4'-P energy: -10.124
tors. eta vs tors. theta energy: -15.726
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 413
Temperature: 1.300000
Total energy: -118.600397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.600397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.600397 (E_RNA)
where:
Base-Base interactions energy: -57.302
where: short stacking energy: -41.634
Base-Backbone interact. energy: -0.184
local terms energy: -61.114197
where:
bonds (distance) C4'-P energy: -11.588
bonds (distance) P-C4' energy: -18.048
flat angles C4'-P-C4' energy: -14.720
flat angles P-C4'-P energy: -15.936
tors. eta vs tors. theta energy: -0.821
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 413
Temperature: 1.350000
Total energy: -172.350051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.350051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.350051 (E_RNA)
where:
Base-Base interactions energy: -95.632
where: short stacking energy: -57.447
Base-Backbone interact. energy: -0.349
local terms energy: -76.368673
where:
bonds (distance) C4'-P energy: -19.806
bonds (distance) P-C4' energy: -17.278
flat angles C4'-P-C4' energy: -15.249
flat angles P-C4'-P energy: -14.723
tors. eta vs tors. theta energy: -9.312
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 414
Temperature: 0.900000
Total energy: -350.792177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.792177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.792177 (E_RNA)
where:
Base-Base interactions energy: -248.806
where: short stacking energy: -93.633
Base-Backbone interact. energy: 0.713
local terms energy: -102.699175
where:
bonds (distance) C4'-P energy: -20.455
bonds (distance) P-C4' energy: -22.961
flat angles C4'-P-C4' energy: -20.909
flat angles P-C4'-P energy: -13.499
tors. eta vs tors. theta energy: -24.874
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 414
Temperature: 0.950000
Total energy: -332.813841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.813841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.813841 (E_RNA)
where:
Base-Base interactions energy: -237.554
where: short stacking energy: -90.295
Base-Backbone interact. energy: -1.467
local terms energy: -93.792912
where:
bonds (distance) C4'-P energy: -17.670
bonds (distance) P-C4' energy: -18.935
flat angles C4'-P-C4' energy: -19.204
flat angles P-C4'-P energy: -15.444
tors. eta vs tors. theta energy: -22.540
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 414
Temperature: 1.000000
Total energy: -327.818595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.818595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.818595 (E_RNA)
where:
Base-Base interactions energy: -233.434
where: short stacking energy: -95.500
Base-Backbone interact. energy: -0.316
local terms energy: -94.068527
where:
bonds (distance) C4'-P energy: -16.900
bonds (distance) P-C4' energy: -21.215
flat angles C4'-P-C4' energy: -18.491
flat angles P-C4'-P energy: -12.231
tors. eta vs tors. theta energy: -25.231
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 414
Temperature: 1.050000
Total energy: -274.821406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.821406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.821406 (E_RNA)
where:
Base-Base interactions energy: -181.709
where: short stacking energy: -88.436
Base-Backbone interact. energy: -0.053
local terms energy: -93.059913
where:
bonds (distance) C4'-P energy: -18.565
bonds (distance) P-C4' energy: -15.505
flat angles C4'-P-C4' energy: -23.571
flat angles P-C4'-P energy: -14.125
tors. eta vs tors. theta energy: -21.294
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 414
Temperature: 1.100000
Total energy: -249.607025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.607025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.607025 (E_RNA)
where:
Base-Base interactions energy: -161.928
where: short stacking energy: -72.684
Base-Backbone interact. energy: -0.503
local terms energy: -87.176024
where:
bonds (distance) C4'-P energy: -19.608
bonds (distance) P-C4' energy: -19.435
flat angles C4'-P-C4' energy: -19.246
flat angles P-C4'-P energy: -11.420
tors. eta vs tors. theta energy: -17.466
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 414
Temperature: 1.150000
Total energy: -233.830337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.830337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.830337 (E_RNA)
where:
Base-Base interactions energy: -149.774
where: short stacking energy: -67.041
Base-Backbone interact. energy: -1.093
local terms energy: -82.963283
where:
bonds (distance) C4'-P energy: -17.634
bonds (distance) P-C4' energy: -21.212
flat angles C4'-P-C4' energy: -17.198
flat angles P-C4'-P energy: -11.869
tors. eta vs tors. theta energy: -15.049
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 414
Temperature: 1.200000
Total energy: -241.205627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.205627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.205627 (E_RNA)
where:
Base-Base interactions energy: -148.545
where: short stacking energy: -79.218
Base-Backbone interact. energy: 0.093
local terms energy: -92.753024
where:
bonds (distance) C4'-P energy: -20.886
bonds (distance) P-C4' energy: -17.645
flat angles C4'-P-C4' energy: -21.186
flat angles P-C4'-P energy: -17.931
tors. eta vs tors. theta energy: -15.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 414
Temperature: 1.250000
Total energy: -236.082198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.082198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.082198 (E_RNA)
where:
Base-Base interactions energy: -158.540
where: short stacking energy: -65.857
Base-Backbone interact. energy: -0.589
local terms energy: -76.953241
where:
bonds (distance) C4'-P energy: -12.998
bonds (distance) P-C4' energy: -18.670
flat angles C4'-P-C4' energy: -19.789
flat angles P-C4'-P energy: -11.264
tors. eta vs tors. theta energy: -14.231
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 414
Temperature: 1.300000
Total energy: -172.544972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.544972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.544972 (E_RNA)
where:
Base-Base interactions energy: -102.578
where: short stacking energy: -52.353
Base-Backbone interact. energy: -0.231
local terms energy: -69.735790
where:
bonds (distance) C4'-P energy: -11.118
bonds (distance) P-C4' energy: -20.479
flat angles C4'-P-C4' energy: -16.871
flat angles P-C4'-P energy: -12.350
tors. eta vs tors. theta energy: -8.917
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 414
Temperature: 1.350000
Total energy: -112.727120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.727120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.727120 (E_RNA)
where:
Base-Base interactions energy: -42.871
where: short stacking energy: -41.142
Base-Backbone interact. energy: -0.220
local terms energy: -69.635453
where:
bonds (distance) C4'-P energy: -17.861
bonds (distance) P-C4' energy: -19.393
flat angles C4'-P-C4' energy: -16.251
flat angles P-C4'-P energy: -11.814
tors. eta vs tors. theta energy: -4.317
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 415
Temperature: 0.900000
Total energy: -351.487461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.487461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.487461 (E_RNA)
where:
Base-Base interactions energy: -251.543
where: short stacking energy: -92.221
Base-Backbone interact. energy: -0.922
local terms energy: -99.022570
where:
bonds (distance) C4'-P energy: -16.606
bonds (distance) P-C4' energy: -21.927
flat angles C4'-P-C4' energy: -21.699
flat angles P-C4'-P energy: -13.791
tors. eta vs tors. theta energy: -25.000
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 415
Temperature: 0.950000
Total energy: -329.917835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.917835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.917835 (E_RNA)
where:
Base-Base interactions energy: -229.406
where: short stacking energy: -97.860
Base-Backbone interact. energy: -0.642
local terms energy: -99.869122
where:
bonds (distance) C4'-P energy: -16.748
bonds (distance) P-C4' energy: -20.597
flat angles C4'-P-C4' energy: -21.141
flat angles P-C4'-P energy: -16.560
tors. eta vs tors. theta energy: -24.823
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 415
Temperature: 1.000000
Total energy: -327.925685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.925685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.925685 (E_RNA)
where:
Base-Base interactions energy: -229.958
where: short stacking energy: -98.146
Base-Backbone interact. energy: -0.693
local terms energy: -97.275174
where:
bonds (distance) C4'-P energy: -17.740
bonds (distance) P-C4' energy: -22.735
flat angles C4'-P-C4' energy: -21.989
flat angles P-C4'-P energy: -13.180
tors. eta vs tors. theta energy: -21.631
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 415
Temperature: 1.050000
Total energy: -257.097540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.097540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.097540 (E_RNA)
where:
Base-Base interactions energy: -163.744
where: short stacking energy: -70.903
Base-Backbone interact. energy: -1.135
local terms energy: -92.217972
where:
bonds (distance) C4'-P energy: -21.000
bonds (distance) P-C4' energy: -20.109
flat angles C4'-P-C4' energy: -20.220
flat angles P-C4'-P energy: -14.443
tors. eta vs tors. theta energy: -16.446
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 415
Temperature: 1.100000
Total energy: -266.594214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.594214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.594214 (E_RNA)
where:
Base-Base interactions energy: -174.079
where: short stacking energy: -75.692
Base-Backbone interact. energy: -0.874
local terms energy: -91.641635
where:
bonds (distance) C4'-P energy: -17.799
bonds (distance) P-C4' energy: -18.607
flat angles C4'-P-C4' energy: -19.856
flat angles P-C4'-P energy: -12.895
tors. eta vs tors. theta energy: -22.484
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 415
Temperature: 1.150000
Total energy: -242.710051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.710051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.710051 (E_RNA)
where:
Base-Base interactions energy: -154.821
where: short stacking energy: -71.466
Base-Backbone interact. energy: -0.070
local terms energy: -87.818728
where:
bonds (distance) C4'-P energy: -16.421
bonds (distance) P-C4' energy: -24.170
flat angles C4'-P-C4' energy: -16.900
flat angles P-C4'-P energy: -12.588
tors. eta vs tors. theta energy: -17.739
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 415
Temperature: 1.200000
Total energy: -193.981777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.981777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.981777 (E_RNA)
where:
Base-Base interactions energy: -113.001
where: short stacking energy: -58.719
Base-Backbone interact. energy: 0.807
local terms energy: -81.787659
where:
bonds (distance) C4'-P energy: -15.406
bonds (distance) P-C4' energy: -18.014
flat angles C4'-P-C4' energy: -22.137
flat angles P-C4'-P energy: -12.962
tors. eta vs tors. theta energy: -13.269
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 415
Temperature: 1.250000
Total energy: -225.613666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.613666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.613666 (E_RNA)
where:
Base-Base interactions energy: -139.788
where: short stacking energy: -67.378
Base-Backbone interact. energy: -0.638
local terms energy: -85.188220
where:
bonds (distance) C4'-P energy: -21.247
bonds (distance) P-C4' energy: -18.469
flat angles C4'-P-C4' energy: -19.291
flat angles P-C4'-P energy: -7.412
tors. eta vs tors. theta energy: -18.769
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 415
Temperature: 1.300000
Total energy: -188.101524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.101524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.101524 (E_RNA)
where:
Base-Base interactions energy: -112.024
where: short stacking energy: -54.622
Base-Backbone interact. energy: -0.843
local terms energy: -75.234844
where:
bonds (distance) C4'-P energy: -14.189
bonds (distance) P-C4' energy: -18.357
flat angles C4'-P-C4' energy: -20.901
flat angles P-C4'-P energy: -8.506
tors. eta vs tors. theta energy: -13.281
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 415
Temperature: 1.350000
Total energy: -111.509268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.509268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.509268 (E_RNA)
where:
Base-Base interactions energy: -45.730
where: short stacking energy: -42.469
Base-Backbone interact. energy: 1.335
local terms energy: -67.114220
where:
bonds (distance) C4'-P energy: -15.754
bonds (distance) P-C4' energy: -21.883
flat angles C4'-P-C4' energy: -17.862
flat angles P-C4'-P energy: -10.186
tors. eta vs tors. theta energy: -1.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 416
Temperature: 0.900000
Total energy: -345.667216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.667216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.667216 (E_RNA)
where:
Base-Base interactions energy: -248.023
where: short stacking energy: -92.048
Base-Backbone interact. energy: -1.486
local terms energy: -96.158674
where:
bonds (distance) C4'-P energy: -21.578
bonds (distance) P-C4' energy: -19.680
flat angles C4'-P-C4' energy: -23.885
flat angles P-C4'-P energy: -9.335
tors. eta vs tors. theta energy: -21.680
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 416
Temperature: 0.950000
Total energy: -330.469680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.469680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.469680 (E_RNA)
where:
Base-Base interactions energy: -226.435
where: short stacking energy: -93.010
Base-Backbone interact. energy: -1.014
local terms energy: -103.021327
where:
bonds (distance) C4'-P energy: -20.002
bonds (distance) P-C4' energy: -21.321
flat angles C4'-P-C4' energy: -20.420
flat angles P-C4'-P energy: -15.927
tors. eta vs tors. theta energy: -25.351
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 416
Temperature: 1.000000
Total energy: -334.846996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.846996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.846996 (E_RNA)
where:
Base-Base interactions energy: -246.390
where: short stacking energy: -92.603
Base-Backbone interact. energy: -0.416
local terms energy: -88.041160
where:
bonds (distance) C4'-P energy: -12.861
bonds (distance) P-C4' energy: -20.070
flat angles C4'-P-C4' energy: -20.910
flat angles P-C4'-P energy: -10.661
tors. eta vs tors. theta energy: -23.538
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 416
Temperature: 1.050000
Total energy: -259.213969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.213969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.213969 (E_RNA)
where:
Base-Base interactions energy: -162.024
where: short stacking energy: -74.674
Base-Backbone interact. energy: -0.596
local terms energy: -96.593711
where:
bonds (distance) C4'-P energy: -18.912
bonds (distance) P-C4' energy: -22.231
flat angles C4'-P-C4' energy: -19.303
flat angles P-C4'-P energy: -16.886
tors. eta vs tors. theta energy: -19.261
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 416
Temperature: 1.100000
Total energy: -261.048115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.048115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.048115 (E_RNA)
where:
Base-Base interactions energy: -179.506
where: short stacking energy: -77.327
Base-Backbone interact. energy: -1.173
local terms energy: -80.369382
where:
bonds (distance) C4'-P energy: -18.320
bonds (distance) P-C4' energy: -11.397
flat angles C4'-P-C4' energy: -20.544
flat angles P-C4'-P energy: -11.753
tors. eta vs tors. theta energy: -18.356
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 416
Temperature: 1.150000
Total energy: -247.779592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.779592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.779592 (E_RNA)
where:
Base-Base interactions energy: -159.471
where: short stacking energy: -69.908
Base-Backbone interact. energy: -0.408
local terms energy: -87.900470
where:
bonds (distance) C4'-P energy: -18.586
bonds (distance) P-C4' energy: -18.802
flat angles C4'-P-C4' energy: -15.316
flat angles P-C4'-P energy: -14.814
tors. eta vs tors. theta energy: -20.384
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 416
Temperature: 1.200000
Total energy: -253.849728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.849728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.849728 (E_RNA)
where:
Base-Base interactions energy: -170.009
where: short stacking energy: -71.797
Base-Backbone interact. energy: -0.844
local terms energy: -82.996334
where:
bonds (distance) C4'-P energy: -15.609
bonds (distance) P-C4' energy: -17.195
flat angles C4'-P-C4' energy: -18.891
flat angles P-C4'-P energy: -12.066
tors. eta vs tors. theta energy: -19.235
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 416
Temperature: 1.250000
Total energy: -184.112153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.112153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.112153 (E_RNA)
where:
Base-Base interactions energy: -114.246
where: short stacking energy: -56.328
Base-Backbone interact. energy: -0.529
local terms energy: -69.337348
where:
bonds (distance) C4'-P energy: -19.550
bonds (distance) P-C4' energy: -22.212
flat angles C4'-P-C4' energy: -12.584
flat angles P-C4'-P energy: -5.365
tors. eta vs tors. theta energy: -9.625
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 416
Temperature: 1.300000
Total energy: -186.397748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.397748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.397748 (E_RNA)
where:
Base-Base interactions energy: -110.147
where: short stacking energy: -53.514
Base-Backbone interact. energy: -0.381
local terms energy: -75.870035
where:
bonds (distance) C4'-P energy: -18.297
bonds (distance) P-C4' energy: -18.595
flat angles C4'-P-C4' energy: -17.408
flat angles P-C4'-P energy: -10.244
tors. eta vs tors. theta energy: -11.326
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 416
Temperature: 1.350000
Total energy: -103.828337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.828337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.828337 (E_RNA)
where:
Base-Base interactions energy: -35.197
where: short stacking energy: -35.197
Base-Backbone interact. energy: -0.033
local terms energy: -68.598824
where:
bonds (distance) C4'-P energy: -13.005
bonds (distance) P-C4' energy: -17.511
flat angles C4'-P-C4' energy: -17.743
flat angles P-C4'-P energy: -11.070
tors. eta vs tors. theta energy: -9.270
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 417
Temperature: 0.900000
Total energy: -354.295786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.295786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.295786 (E_RNA)
where:
Base-Base interactions energy: -263.176
where: short stacking energy: -94.586
Base-Backbone interact. energy: 2.123
local terms energy: -93.243251
where:
bonds (distance) C4'-P energy: -19.107
bonds (distance) P-C4' energy: -20.882
flat angles C4'-P-C4' energy: -20.701
flat angles P-C4'-P energy: -9.392
tors. eta vs tors. theta energy: -23.161
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 417
Temperature: 0.950000
Total energy: -322.833815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.833815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.833815 (E_RNA)
where:
Base-Base interactions energy: -223.872
where: short stacking energy: -103.002
Base-Backbone interact. energy: -0.894
local terms energy: -98.068264
where:
bonds (distance) C4'-P energy: -18.639
bonds (distance) P-C4' energy: -19.293
flat angles C4'-P-C4' energy: -21.306
flat angles P-C4'-P energy: -13.573
tors. eta vs tors. theta energy: -25.257
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 417
Temperature: 1.000000
Total energy: -334.918589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.918589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.918589 (E_RNA)
where:
Base-Base interactions energy: -240.161
where: short stacking energy: -90.560
Base-Backbone interact. energy: 0.207
local terms energy: -94.965443
where:
bonds (distance) C4'-P energy: -19.356
bonds (distance) P-C4' energy: -18.371
flat angles C4'-P-C4' energy: -24.119
flat angles P-C4'-P energy: -7.486
tors. eta vs tors. theta energy: -25.633
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 417
Temperature: 1.050000
Total energy: -273.250840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.250840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.250840 (E_RNA)
where:
Base-Base interactions energy: -180.641
where: short stacking energy: -81.151
Base-Backbone interact. energy: -0.420
local terms energy: -92.189845
where:
bonds (distance) C4'-P energy: -20.539
bonds (distance) P-C4' energy: -20.875
flat angles C4'-P-C4' energy: -16.955
flat angles P-C4'-P energy: -12.840
tors. eta vs tors. theta energy: -20.980
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 417
Temperature: 1.100000
Total energy: -253.135465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.135465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.135465 (E_RNA)
where:
Base-Base interactions energy: -174.823
where: short stacking energy: -69.743
Base-Backbone interact. energy: -0.254
local terms energy: -78.058924
where:
bonds (distance) C4'-P energy: -14.072
bonds (distance) P-C4' energy: -21.009
flat angles C4'-P-C4' energy: -18.959
flat angles P-C4'-P energy: -12.076
tors. eta vs tors. theta energy: -11.944
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 417
Temperature: 1.150000
Total energy: -246.313779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.313779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.313779 (E_RNA)
where:
Base-Base interactions energy: -157.899
where: short stacking energy: -75.999
Base-Backbone interact. energy: -1.224
local terms energy: -87.190743
where:
bonds (distance) C4'-P energy: -16.449
bonds (distance) P-C4' energy: -18.948
flat angles C4'-P-C4' energy: -20.368
flat angles P-C4'-P energy: -15.195
tors. eta vs tors. theta energy: -16.230
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 417
Temperature: 1.200000
Total energy: -234.727576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.727576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.727576 (E_RNA)
where:
Base-Base interactions energy: -151.162
where: short stacking energy: -66.558
Base-Backbone interact. energy: -0.151
local terms energy: -83.414853
where:
bonds (distance) C4'-P energy: -18.226
bonds (distance) P-C4' energy: -21.042
flat angles C4'-P-C4' energy: -15.751
flat angles P-C4'-P energy: -13.401
tors. eta vs tors. theta energy: -14.995
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 417
Temperature: 1.250000
Total energy: -198.805569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.805569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.805569 (E_RNA)
where:
Base-Base interactions energy: -124.095
where: short stacking energy: -58.007
Base-Backbone interact. energy: -0.229
local terms energy: -74.481293
where:
bonds (distance) C4'-P energy: -14.073
bonds (distance) P-C4' energy: -21.091
flat angles C4'-P-C4' energy: -13.231
flat angles P-C4'-P energy: -12.841
tors. eta vs tors. theta energy: -13.244
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 417
Temperature: 1.300000
Total energy: -174.580577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.580577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.580577 (E_RNA)
where:
Base-Base interactions energy: -107.452
where: short stacking energy: -49.684
Base-Backbone interact. energy: -1.262
local terms energy: -65.866288
where:
bonds (distance) C4'-P energy: -19.389
bonds (distance) P-C4' energy: -16.410
flat angles C4'-P-C4' energy: -14.218
flat angles P-C4'-P energy: -2.536
tors. eta vs tors. theta energy: -13.314
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 417
Temperature: 1.350000
Total energy: -105.797159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.797159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.797159 (E_RNA)
where:
Base-Base interactions energy: -38.041
where: short stacking energy: -26.806
Base-Backbone interact. energy: -0.216
local terms energy: -67.539750
where:
bonds (distance) C4'-P energy: -16.147
bonds (distance) P-C4' energy: -20.612
flat angles C4'-P-C4' energy: -10.853
flat angles P-C4'-P energy: -13.561
tors. eta vs tors. theta energy: -6.366
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 418
Temperature: 0.900000
Total energy: -351.323954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.323954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.323954 (E_RNA)
where:
Base-Base interactions energy: -252.879
where: short stacking energy: -103.519
Base-Backbone interact. energy: -0.546
local terms energy: -97.899055
where:
bonds (distance) C4'-P energy: -17.444
bonds (distance) P-C4' energy: -21.291
flat angles C4'-P-C4' energy: -16.780
flat angles P-C4'-P energy: -15.069
tors. eta vs tors. theta energy: -27.315
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 418
Temperature: 0.950000
Total energy: -330.605693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.605693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.605693 (E_RNA)
where:
Base-Base interactions energy: -224.968
where: short stacking energy: -103.102
Base-Backbone interact. energy: -0.392
local terms energy: -105.245617
where:
bonds (distance) C4'-P energy: -19.877
bonds (distance) P-C4' energy: -21.447
flat angles C4'-P-C4' energy: -19.594
flat angles P-C4'-P energy: -15.198
tors. eta vs tors. theta energy: -29.129
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 418
Temperature: 1.000000
Total energy: -337.370284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.370284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.370284 (E_RNA)
where:
Base-Base interactions energy: -240.233
where: short stacking energy: -92.095
Base-Backbone interact. energy: -0.545
local terms energy: -96.592232
where:
bonds (distance) C4'-P energy: -19.657
bonds (distance) P-C4' energy: -21.858
flat angles C4'-P-C4' energy: -21.086
flat angles P-C4'-P energy: -9.005
tors. eta vs tors. theta energy: -24.987
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 418
Temperature: 1.050000
Total energy: -270.524427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.524427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.524427 (E_RNA)
where:
Base-Base interactions energy: -181.411
where: short stacking energy: -83.423
Base-Backbone interact. energy: -0.042
local terms energy: -89.071798
where:
bonds (distance) C4'-P energy: -16.773
bonds (distance) P-C4' energy: -20.182
flat angles C4'-P-C4' energy: -19.136
flat angles P-C4'-P energy: -11.199
tors. eta vs tors. theta energy: -21.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 418
Temperature: 1.100000
Total energy: -271.656580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.656580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.656580 (E_RNA)
where:
Base-Base interactions energy: -182.104
where: short stacking energy: -84.298
Base-Backbone interact. energy: -0.166
local terms energy: -89.386864
where:
bonds (distance) C4'-P energy: -20.084
bonds (distance) P-C4' energy: -17.020
flat angles C4'-P-C4' energy: -17.381
flat angles P-C4'-P energy: -9.945
tors. eta vs tors. theta energy: -24.957
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 418
Temperature: 1.150000
Total energy: -253.894141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.894141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.894141 (E_RNA)
where:
Base-Base interactions energy: -172.125
where: short stacking energy: -59.175
Base-Backbone interact. energy: -0.339
local terms energy: -81.430198
where:
bonds (distance) C4'-P energy: -18.184
bonds (distance) P-C4' energy: -17.604
flat angles C4'-P-C4' energy: -21.856
flat angles P-C4'-P energy: -14.596
tors. eta vs tors. theta energy: -9.191
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 418
Temperature: 1.200000
Total energy: -204.156246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.156246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.156246 (E_RNA)
where:
Base-Base interactions energy: -126.319
where: short stacking energy: -60.586
Base-Backbone interact. energy: -0.139
local terms energy: -77.698849
where:
bonds (distance) C4'-P energy: -16.239
bonds (distance) P-C4' energy: -17.360
flat angles C4'-P-C4' energy: -24.546
flat angles P-C4'-P energy: -7.960
tors. eta vs tors. theta energy: -11.593
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 418
Temperature: 1.250000
Total energy: -219.834748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.834748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.834748 (E_RNA)
where:
Base-Base interactions energy: -143.163
where: short stacking energy: -72.112
Base-Backbone interact. energy: -0.411
local terms energy: -76.261010
where:
bonds (distance) C4'-P energy: -16.161
bonds (distance) P-C4' energy: -17.441
flat angles C4'-P-C4' energy: -21.226
flat angles P-C4'-P energy: -5.945
tors. eta vs tors. theta energy: -15.488
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 418
Temperature: 1.300000
Total energy: -114.031464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.031464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.031464 (E_RNA)
where:
Base-Base interactions energy: -41.375
where: short stacking energy: -41.375
Base-Backbone interact. energy: -0.208
local terms energy: -72.448873
where:
bonds (distance) C4'-P energy: -22.477
bonds (distance) P-C4' energy: -17.832
flat angles C4'-P-C4' energy: -9.905
flat angles P-C4'-P energy: -15.639
tors. eta vs tors. theta energy: -6.597
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 418
Temperature: 1.350000
Total energy: -116.915156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.915156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.915156 (E_RNA)
where:
Base-Base interactions energy: -55.233
where: short stacking energy: -22.625
Base-Backbone interact. energy: -0.290
local terms energy: -61.392514
where:
bonds (distance) C4'-P energy: -17.128
bonds (distance) P-C4' energy: -15.311
flat angles C4'-P-C4' energy: -19.377
flat angles P-C4'-P energy: -9.422
tors. eta vs tors. theta energy: -0.154
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 419
Temperature: 0.900000
Total energy: -356.209257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.209257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.209257 (E_RNA)
where:
Base-Base interactions energy: -252.759
where: short stacking energy: -97.352
Base-Backbone interact. energy: -0.018
local terms energy: -103.432056
where:
bonds (distance) C4'-P energy: -18.593
bonds (distance) P-C4' energy: -18.768
flat angles C4'-P-C4' energy: -22.278
flat angles P-C4'-P energy: -18.075
tors. eta vs tors. theta energy: -25.719
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 419
Temperature: 0.950000
Total energy: -339.488427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.488427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.488427 (E_RNA)
where:
Base-Base interactions energy: -238.967
where: short stacking energy: -95.149
Base-Backbone interact. energy: 0.697
local terms energy: -101.218724
where:
bonds (distance) C4'-P energy: -18.847
bonds (distance) P-C4' energy: -20.693
flat angles C4'-P-C4' energy: -21.831
flat angles P-C4'-P energy: -16.436
tors. eta vs tors. theta energy: -23.412
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 419
Temperature: 1.000000
Total energy: -326.440138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.440138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.440138 (E_RNA)
where:
Base-Base interactions energy: -221.744
where: short stacking energy: -88.226
Base-Backbone interact. energy: -0.760
local terms energy: -103.936592
where:
bonds (distance) C4'-P energy: -21.050
bonds (distance) P-C4' energy: -20.692
flat angles C4'-P-C4' energy: -24.406
flat angles P-C4'-P energy: -11.201
tors. eta vs tors. theta energy: -26.588
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 419
Temperature: 1.050000
Total energy: -267.357878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.357878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.357878 (E_RNA)
where:
Base-Base interactions energy: -180.728
where: short stacking energy: -75.597
Base-Backbone interact. energy: -0.991
local terms energy: -85.639283
where:
bonds (distance) C4'-P energy: -19.381
bonds (distance) P-C4' energy: -24.434
flat angles C4'-P-C4' energy: -18.510
flat angles P-C4'-P energy: -9.505
tors. eta vs tors. theta energy: -13.809
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 419
Temperature: 1.100000
Total energy: -259.740170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.740170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.740170 (E_RNA)
where:
Base-Base interactions energy: -175.042
where: short stacking energy: -75.218
Base-Backbone interact. energy: -0.368
local terms energy: -84.329387
where:
bonds (distance) C4'-P energy: -22.489
bonds (distance) P-C4' energy: -18.268
flat angles C4'-P-C4' energy: -19.868
flat angles P-C4'-P energy: -11.071
tors. eta vs tors. theta energy: -12.633
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 419
Temperature: 1.150000
Total energy: -256.598594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.598594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.598594 (E_RNA)
where:
Base-Base interactions energy: -179.427
where: short stacking energy: -78.974
Base-Backbone interact. energy: 1.879
local terms energy: -79.050465
where:
bonds (distance) C4'-P energy: -15.166
bonds (distance) P-C4' energy: -12.074
flat angles C4'-P-C4' energy: -21.606
flat angles P-C4'-P energy: -13.732
tors. eta vs tors. theta energy: -16.472
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 419
Temperature: 1.200000
Total energy: -202.143392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.143392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.143392 (E_RNA)
where:
Base-Base interactions energy: -120.539
where: short stacking energy: -68.136
Base-Backbone interact. energy: -0.067
local terms energy: -81.537400
where:
bonds (distance) C4'-P energy: -12.354
bonds (distance) P-C4' energy: -19.457
flat angles C4'-P-C4' energy: -23.146
flat angles P-C4'-P energy: -16.801
tors. eta vs tors. theta energy: -9.780
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 419
Temperature: 1.250000
Total energy: -223.078349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.078349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.078349 (E_RNA)
where:
Base-Base interactions energy: -144.619
where: short stacking energy: -70.582
Base-Backbone interact. energy: -0.792
local terms energy: -77.667219
where:
bonds (distance) C4'-P energy: -14.277
bonds (distance) P-C4' energy: -22.621
flat angles C4'-P-C4' energy: -19.761
flat angles P-C4'-P energy: -3.202
tors. eta vs tors. theta energy: -17.806
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 419
Temperature: 1.300000
Total energy: -126.154890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.154890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.154890 (E_RNA)
where:
Base-Base interactions energy: -61.349
where: short stacking energy: -37.941
Base-Backbone interact. energy: -0.115
local terms energy: -64.691490
where:
bonds (distance) C4'-P energy: -17.183
bonds (distance) P-C4' energy: -18.059
flat angles C4'-P-C4' energy: -17.233
flat angles P-C4'-P energy: -6.548
tors. eta vs tors. theta energy: -5.668
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 419
Temperature: 1.350000
Total energy: -100.835913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.835913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.835913 (E_RNA)
where:
Base-Base interactions energy: -45.381
where: short stacking energy: -39.313
Base-Backbone interact. energy: 2.974
local terms energy: -58.429004
where:
bonds (distance) C4'-P energy: -15.182
bonds (distance) P-C4' energy: -16.855
flat angles C4'-P-C4' energy: -18.297
flat angles P-C4'-P energy: -5.584
tors. eta vs tors. theta energy: -2.511
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 420
Temperature: 0.900000
Total energy: -347.469249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.469249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.469249 (E_RNA)
where:
Base-Base interactions energy: -248.762
where: short stacking energy: -102.330
Base-Backbone interact. energy: -0.368
local terms energy: -98.339719
where:
bonds (distance) C4'-P energy: -18.011
bonds (distance) P-C4' energy: -19.208
flat angles C4'-P-C4' energy: -21.936
flat angles P-C4'-P energy: -13.701
tors. eta vs tors. theta energy: -25.484
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 420
Temperature: 0.950000
Total energy: -342.489648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.489648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.489648 (E_RNA)
where:
Base-Base interactions energy: -244.317
where: short stacking energy: -99.538
Base-Backbone interact. energy: 0.063
local terms energy: -98.235972
where:
bonds (distance) C4'-P energy: -18.002
bonds (distance) P-C4' energy: -21.944
flat angles C4'-P-C4' energy: -19.819
flat angles P-C4'-P energy: -14.448
tors. eta vs tors. theta energy: -24.022
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 420
Temperature: 1.000000
Total energy: -325.831083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.831083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.831083 (E_RNA)
where:
Base-Base interactions energy: -227.586
where: short stacking energy: -98.812
Base-Backbone interact. energy: -0.373
local terms energy: -97.872621
where:
bonds (distance) C4'-P energy: -17.761
bonds (distance) P-C4' energy: -21.492
flat angles C4'-P-C4' energy: -18.441
flat angles P-C4'-P energy: -14.165
tors. eta vs tors. theta energy: -26.013
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 420
Temperature: 1.050000
Total energy: -273.998122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.998122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.998122 (E_RNA)
where:
Base-Base interactions energy: -184.268
where: short stacking energy: -79.968
Base-Backbone interact. energy: -0.300
local terms energy: -89.430529
where:
bonds (distance) C4'-P energy: -15.368
bonds (distance) P-C4' energy: -19.272
flat angles C4'-P-C4' energy: -18.266
flat angles P-C4'-P energy: -15.834
tors. eta vs tors. theta energy: -20.691
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 420
Temperature: 1.100000
Total energy: -273.632866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.632866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.632866 (E_RNA)
where:
Base-Base interactions energy: -188.036
where: short stacking energy: -93.407
Base-Backbone interact. energy: -0.121
local terms energy: -85.476408
where:
bonds (distance) C4'-P energy: -16.185
bonds (distance) P-C4' energy: -20.925
flat angles C4'-P-C4' energy: -18.944
flat angles P-C4'-P energy: -6.436
tors. eta vs tors. theta energy: -22.986
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 420
Temperature: 1.150000
Total energy: -266.445906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.445906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.445906 (E_RNA)
where:
Base-Base interactions energy: -173.957
where: short stacking energy: -81.289
Base-Backbone interact. energy: -0.045
local terms energy: -92.444416
where:
bonds (distance) C4'-P energy: -16.430
bonds (distance) P-C4' energy: -21.436
flat angles C4'-P-C4' energy: -19.410
flat angles P-C4'-P energy: -11.982
tors. eta vs tors. theta energy: -23.187
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 420
Temperature: 1.200000
Total energy: -236.241392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.241392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.241392 (E_RNA)
where:
Base-Base interactions energy: -144.326
where: short stacking energy: -67.869
Base-Backbone interact. energy: -0.177
local terms energy: -91.738385
where:
bonds (distance) C4'-P energy: -16.811
bonds (distance) P-C4' energy: -18.558
flat angles C4'-P-C4' energy: -18.891
flat angles P-C4'-P energy: -16.142
tors. eta vs tors. theta energy: -21.336
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 420
Temperature: 1.250000
Total energy: -196.055658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.055658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.055658 (E_RNA)
where:
Base-Base interactions energy: -119.531
where: short stacking energy: -60.600
Base-Backbone interact. energy: -0.054
local terms energy: -76.471027
where:
bonds (distance) C4'-P energy: -17.723
bonds (distance) P-C4' energy: -14.081
flat angles C4'-P-C4' energy: -21.005
flat angles P-C4'-P energy: -13.619
tors. eta vs tors. theta energy: -10.042
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 420
Temperature: 1.300000
Total energy: -119.291314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.291314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.291314 (E_RNA)
where:
Base-Base interactions energy: -57.187
where: short stacking energy: -41.937
Base-Backbone interact. energy: -0.129
local terms energy: -61.974729
where:
bonds (distance) C4'-P energy: -17.489
bonds (distance) P-C4' energy: -16.909
flat angles C4'-P-C4' energy: -18.080
flat angles P-C4'-P energy: -4.195
tors. eta vs tors. theta energy: -5.303
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 420
Temperature: 1.350000
Total energy: -109.606628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.606628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.606628 (E_RNA)
where:
Base-Base interactions energy: -50.756
where: short stacking energy: -35.194
Base-Backbone interact. energy: -0.192
local terms energy: -58.658560
where:
bonds (distance) C4'-P energy: -18.483
bonds (distance) P-C4' energy: -9.729
flat angles C4'-P-C4' energy: -20.183
flat angles P-C4'-P energy: -4.272
tors. eta vs tors. theta energy: -5.991
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 421
Temperature: 0.900000
Total energy: -350.982676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.982676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.982676 (E_RNA)
where:
Base-Base interactions energy: -247.202
where: short stacking energy: -105.164
Base-Backbone interact. energy: -1.753
local terms energy: -102.027808
where:
bonds (distance) C4'-P energy: -21.513
bonds (distance) P-C4' energy: -23.100
flat angles C4'-P-C4' energy: -21.883
flat angles P-C4'-P energy: -10.470
tors. eta vs tors. theta energy: -25.062
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 421
Temperature: 0.950000
Total energy: -349.590915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.590915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.590915 (E_RNA)
where:
Base-Base interactions energy: -249.131
where: short stacking energy: -99.377
Base-Backbone interact. energy: -0.119
local terms energy: -100.341184
where:
bonds (distance) C4'-P energy: -19.597
bonds (distance) P-C4' energy: -22.381
flat angles C4'-P-C4' energy: -19.953
flat angles P-C4'-P energy: -15.410
tors. eta vs tors. theta energy: -23.000
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 421
Temperature: 1.000000
Total energy: -317.061067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.061067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.061067 (E_RNA)
where:
Base-Base interactions energy: -221.323
where: short stacking energy: -95.922
Base-Backbone interact. energy: 0.727
local terms energy: -96.465050
where:
bonds (distance) C4'-P energy: -16.984
bonds (distance) P-C4' energy: -21.855
flat angles C4'-P-C4' energy: -19.717
flat angles P-C4'-P energy: -14.085
tors. eta vs tors. theta energy: -23.824
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 421
Temperature: 1.050000
Total energy: -269.341912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.341912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.341912 (E_RNA)
where:
Base-Base interactions energy: -177.460
where: short stacking energy: -83.435
Base-Backbone interact. energy: -0.296
local terms energy: -91.585797
where:
bonds (distance) C4'-P energy: -19.563
bonds (distance) P-C4' energy: -18.686
flat angles C4'-P-C4' energy: -18.265
flat angles P-C4'-P energy: -10.709
tors. eta vs tors. theta energy: -24.363
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 421
Temperature: 1.100000
Total energy: -267.039520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.039520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.039520 (E_RNA)
where:
Base-Base interactions energy: -166.454
where: short stacking energy: -89.847
Base-Backbone interact. energy: -0.221
local terms energy: -100.364762
where:
bonds (distance) C4'-P energy: -21.555
bonds (distance) P-C4' energy: -19.366
flat angles C4'-P-C4' energy: -23.318
flat angles P-C4'-P energy: -13.126
tors. eta vs tors. theta energy: -23.000
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 421
Temperature: 1.150000
Total energy: -248.788185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.788185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.788185 (E_RNA)
where:
Base-Base interactions energy: -155.428
where: short stacking energy: -80.898
Base-Backbone interact. energy: -0.569
local terms energy: -92.790998
where:
bonds (distance) C4'-P energy: -20.208
bonds (distance) P-C4' energy: -21.001
flat angles C4'-P-C4' energy: -20.069
flat angles P-C4'-P energy: -11.960
tors. eta vs tors. theta energy: -19.553
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 421
Temperature: 1.200000
Total energy: -259.486023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.486023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.486023 (E_RNA)
where:
Base-Base interactions energy: -174.720
where: short stacking energy: -72.775
Base-Backbone interact. energy: 0.062
local terms energy: -84.827938
where:
bonds (distance) C4'-P energy: -19.595
bonds (distance) P-C4' energy: -18.594
flat angles C4'-P-C4' energy: -16.777
flat angles P-C4'-P energy: -12.990
tors. eta vs tors. theta energy: -16.871
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 421
Temperature: 1.250000
Total energy: -175.094290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.094290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.094290 (E_RNA)
where:
Base-Base interactions energy: -106.821
where: short stacking energy: -43.650
Base-Backbone interact. energy: 0.175
local terms energy: -68.448778
where:
bonds (distance) C4'-P energy: -19.946
bonds (distance) P-C4' energy: -13.651
flat angles C4'-P-C4' energy: -12.641
flat angles P-C4'-P energy: -11.615
tors. eta vs tors. theta energy: -10.595
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 421
Temperature: 1.300000
Total energy: -152.955252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.955252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.955252 (E_RNA)
where:
Base-Base interactions energy: -79.209
where: short stacking energy: -46.554
Base-Backbone interact. energy: 0.322
local terms energy: -74.068375
where:
bonds (distance) C4'-P energy: -17.502
bonds (distance) P-C4' energy: -20.504
flat angles C4'-P-C4' energy: -17.949
flat angles P-C4'-P energy: -12.466
tors. eta vs tors. theta energy: -5.648
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 421
Temperature: 1.350000
Total energy: -102.248477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.248477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.248477 (E_RNA)
where:
Base-Base interactions energy: -47.132
where: short stacking energy: -42.806
Base-Backbone interact. energy: -0.084
local terms energy: -55.032072
where:
bonds (distance) C4'-P energy: -14.599
bonds (distance) P-C4' energy: -21.234
flat angles C4'-P-C4' energy: -15.153
flat angles P-C4'-P energy: -3.789
tors. eta vs tors. theta energy: -0.257
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 422
Temperature: 0.900000
Total energy: -351.849344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.849344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.849344 (E_RNA)
where:
Base-Base interactions energy: -246.490
where: short stacking energy: -97.086
Base-Backbone interact. energy: 0.076
local terms energy: -105.435157
where:
bonds (distance) C4'-P energy: -19.720
bonds (distance) P-C4' energy: -20.914
flat angles C4'-P-C4' energy: -22.745
flat angles P-C4'-P energy: -15.592
tors. eta vs tors. theta energy: -26.464
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 422
Temperature: 0.950000
Total energy: -345.684751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.684751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.684751 (E_RNA)
where:
Base-Base interactions energy: -245.514
where: short stacking energy: -93.976
Base-Backbone interact. energy: 0.158
local terms energy: -100.328844
where:
bonds (distance) C4'-P energy: -20.355
bonds (distance) P-C4' energy: -21.172
flat angles C4'-P-C4' energy: -22.436
flat angles P-C4'-P energy: -11.452
tors. eta vs tors. theta energy: -24.914
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 422
Temperature: 1.000000
Total energy: -315.095412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.095412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.095412 (E_RNA)
where:
Base-Base interactions energy: -222.141
where: short stacking energy: -84.265
Base-Backbone interact. energy: 0.153
local terms energy: -93.107029
where:
bonds (distance) C4'-P energy: -14.540
bonds (distance) P-C4' energy: -19.316
flat angles C4'-P-C4' energy: -20.553
flat angles P-C4'-P energy: -15.357
tors. eta vs tors. theta energy: -23.342
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 422
Temperature: 1.050000
Total energy: -270.689139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.689139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.689139 (E_RNA)
where:
Base-Base interactions energy: -179.680
where: short stacking energy: -79.078
Base-Backbone interact. energy: -0.858
local terms energy: -90.151400
where:
bonds (distance) C4'-P energy: -15.277
bonds (distance) P-C4' energy: -18.526
flat angles C4'-P-C4' energy: -20.582
flat angles P-C4'-P energy: -12.770
tors. eta vs tors. theta energy: -22.997
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 422
Temperature: 1.100000
Total energy: -256.075750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.075750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.075750 (E_RNA)
where:
Base-Base interactions energy: -163.796
where: short stacking energy: -93.962
Base-Backbone interact. energy: -0.024
local terms energy: -92.256267
where:
bonds (distance) C4'-P energy: -13.790
bonds (distance) P-C4' energy: -21.665
flat angles C4'-P-C4' energy: -21.151
flat angles P-C4'-P energy: -12.209
tors. eta vs tors. theta energy: -23.441
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 422
Temperature: 1.150000
Total energy: -235.739749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.739749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.739749 (E_RNA)
where:
Base-Base interactions energy: -154.982
where: short stacking energy: -74.939
Base-Backbone interact. energy: 0.845
local terms energy: -81.602997
where:
bonds (distance) C4'-P energy: -16.524
bonds (distance) P-C4' energy: -15.813
flat angles C4'-P-C4' energy: -17.517
flat angles P-C4'-P energy: -14.645
tors. eta vs tors. theta energy: -17.104
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 422
Temperature: 1.200000
Total energy: -250.399813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.399813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.399813 (E_RNA)
where:
Base-Base interactions energy: -166.718
where: short stacking energy: -68.828
Base-Backbone interact. energy: -0.339
local terms energy: -83.342619
where:
bonds (distance) C4'-P energy: -15.999
bonds (distance) P-C4' energy: -13.931
flat angles C4'-P-C4' energy: -21.010
flat angles P-C4'-P energy: -13.128
tors. eta vs tors. theta energy: -19.275
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 422
Temperature: 1.250000
Total energy: -190.199196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.199196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.199196 (E_RNA)
where:
Base-Base interactions energy: -114.022
where: short stacking energy: -65.619
Base-Backbone interact. energy: 0.194
local terms energy: -76.370868
where:
bonds (distance) C4'-P energy: -16.796
bonds (distance) P-C4' energy: -17.085
flat angles C4'-P-C4' energy: -19.885
flat angles P-C4'-P energy: -12.033
tors. eta vs tors. theta energy: -10.571
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 422
Temperature: 1.300000
Total energy: -164.037221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.037221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.037221 (E_RNA)
where:
Base-Base interactions energy: -94.472
where: short stacking energy: -50.279
Base-Backbone interact. energy: -0.981
local terms energy: -68.583522
where:
bonds (distance) C4'-P energy: -17.558
bonds (distance) P-C4' energy: -21.257
flat angles C4'-P-C4' energy: -10.342
flat angles P-C4'-P energy: -6.603
tors. eta vs tors. theta energy: -12.823
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 422
Temperature: 1.350000
Total energy: -97.438593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.438593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.438593 (E_RNA)
where:
Base-Base interactions energy: -29.907
where: short stacking energy: -28.201
Base-Backbone interact. energy: -0.228
local terms energy: -67.303169
where:
bonds (distance) C4'-P energy: -18.954
bonds (distance) P-C4' energy: -16.909
flat angles C4'-P-C4' energy: -16.150
flat angles P-C4'-P energy: -11.750
tors. eta vs tors. theta energy: -3.539
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 423
Temperature: 0.900000
Total energy: -356.078789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.078789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.078789 (E_RNA)
where:
Base-Base interactions energy: -251.148
where: short stacking energy: -96.170
Base-Backbone interact. energy: -0.219
local terms energy: -104.711448
where:
bonds (distance) C4'-P energy: -20.308
bonds (distance) P-C4' energy: -20.355
flat angles C4'-P-C4' energy: -22.084
flat angles P-C4'-P energy: -16.021
tors. eta vs tors. theta energy: -25.943
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 423
Temperature: 0.950000
Total energy: -338.920697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.920697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.920697 (E_RNA)
where:
Base-Base interactions energy: -242.695
where: short stacking energy: -91.262
Base-Backbone interact. energy: -0.193
local terms energy: -96.032708
where:
bonds (distance) C4'-P energy: -22.311
bonds (distance) P-C4' energy: -19.680
flat angles C4'-P-C4' energy: -18.147
flat angles P-C4'-P energy: -11.024
tors. eta vs tors. theta energy: -24.870
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 423
Temperature: 1.000000
Total energy: -318.497641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.497641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.497641 (E_RNA)
where:
Base-Base interactions energy: -219.327
where: short stacking energy: -87.358
Base-Backbone interact. energy: -0.353
local terms energy: -98.817898
where:
bonds (distance) C4'-P energy: -18.199
bonds (distance) P-C4' energy: -21.851
flat angles C4'-P-C4' energy: -20.781
flat angles P-C4'-P energy: -15.655
tors. eta vs tors. theta energy: -22.332
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 423
Temperature: 1.050000
Total energy: -273.553078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.553078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.553078 (E_RNA)
where:
Base-Base interactions energy: -183.814
where: short stacking energy: -79.901
Base-Backbone interact. energy: 0.055
local terms energy: -89.794094
where:
bonds (distance) C4'-P energy: -16.268
bonds (distance) P-C4' energy: -17.917
flat angles C4'-P-C4' energy: -19.747
flat angles P-C4'-P energy: -14.386
tors. eta vs tors. theta energy: -21.476
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 423
Temperature: 1.100000
Total energy: -252.175307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.175307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.175307 (E_RNA)
where:
Base-Base interactions energy: -169.082
where: short stacking energy: -73.341
Base-Backbone interact. energy: 2.536
local terms energy: -85.629208
where:
bonds (distance) C4'-P energy: -20.188
bonds (distance) P-C4' energy: -19.148
flat angles C4'-P-C4' energy: -17.448
flat angles P-C4'-P energy: -12.990
tors. eta vs tors. theta energy: -15.855
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 423
Temperature: 1.150000
Total energy: -253.950299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.950299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.950299 (E_RNA)
where:
Base-Base interactions energy: -166.797
where: short stacking energy: -70.238
Base-Backbone interact. energy: -0.679
local terms energy: -86.474832
where:
bonds (distance) C4'-P energy: -14.231
bonds (distance) P-C4' energy: -21.783
flat angles C4'-P-C4' energy: -21.785
flat angles P-C4'-P energy: -13.613
tors. eta vs tors. theta energy: -15.062
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 423
Temperature: 1.200000
Total energy: -251.193057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.193057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.193057 (E_RNA)
where:
Base-Base interactions energy: -162.186
where: short stacking energy: -72.471
Base-Backbone interact. energy: 0.823
local terms energy: -89.830398
where:
bonds (distance) C4'-P energy: -14.955
bonds (distance) P-C4' energy: -21.321
flat angles C4'-P-C4' energy: -19.775
flat angles P-C4'-P energy: -13.477
tors. eta vs tors. theta energy: -20.303
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 423
Temperature: 1.250000
Total energy: -197.326268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.326268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.326268 (E_RNA)
where:
Base-Base interactions energy: -122.459
where: short stacking energy: -56.627
Base-Backbone interact. energy: -0.196
local terms energy: -74.670741
where:
bonds (distance) C4'-P energy: -19.210
bonds (distance) P-C4' energy: -17.977
flat angles C4'-P-C4' energy: -18.400
flat angles P-C4'-P energy: -8.525
tors. eta vs tors. theta energy: -10.558
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 423
Temperature: 1.300000
Total energy: -169.638195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.638195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.638195 (E_RNA)
where:
Base-Base interactions energy: -111.937
where: short stacking energy: -59.025
Base-Backbone interact. energy: 0.147
local terms energy: -57.847487
where:
bonds (distance) C4'-P energy: -8.840
bonds (distance) P-C4' energy: -12.638
flat angles C4'-P-C4' energy: -17.839
flat angles P-C4'-P energy: -10.174
tors. eta vs tors. theta energy: -8.357
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 423
Temperature: 1.350000
Total energy: -94.196429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.196429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.196429 (E_RNA)
where:
Base-Base interactions energy: -35.586
where: short stacking energy: -29.662
Base-Backbone interact. energy: -0.263
local terms energy: -58.347241
where:
bonds (distance) C4'-P energy: -15.579
bonds (distance) P-C4' energy: -19.758
flat angles C4'-P-C4' energy: -14.173
flat angles P-C4'-P energy: -7.496
tors. eta vs tors. theta energy: -1.341
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 424
Temperature: 0.900000
Total energy: -355.314249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.314249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.314249 (E_RNA)
where:
Base-Base interactions energy: -250.852
where: short stacking energy: -100.168
Base-Backbone interact. energy: 0.230
local terms energy: -104.692612
where:
bonds (distance) C4'-P energy: -20.963
bonds (distance) P-C4' energy: -20.734
flat angles C4'-P-C4' energy: -22.381
flat angles P-C4'-P energy: -13.679
tors. eta vs tors. theta energy: -26.936
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 424
Temperature: 0.950000
Total energy: -349.039809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.039809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.039809 (E_RNA)
where:
Base-Base interactions energy: -246.416
where: short stacking energy: -101.910
Base-Backbone interact. energy: 0.060
local terms energy: -102.683502
where:
bonds (distance) C4'-P energy: -20.556
bonds (distance) P-C4' energy: -19.916
flat angles C4'-P-C4' energy: -22.602
flat angles P-C4'-P energy: -15.770
tors. eta vs tors. theta energy: -23.839
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 424
Temperature: 1.000000
Total energy: -318.068590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.068590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.068590 (E_RNA)
where:
Base-Base interactions energy: -225.077
where: short stacking energy: -89.738
Base-Backbone interact. energy: -0.086
local terms energy: -92.904645
where:
bonds (distance) C4'-P energy: -18.574
bonds (distance) P-C4' energy: -18.384
flat angles C4'-P-C4' energy: -16.981
flat angles P-C4'-P energy: -12.413
tors. eta vs tors. theta energy: -26.554
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 424
Temperature: 1.050000
Total energy: -271.787151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.787151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.787151 (E_RNA)
where:
Base-Base interactions energy: -167.050
where: short stacking energy: -70.375
Base-Backbone interact. energy: -0.413
local terms energy: -104.324144
where:
bonds (distance) C4'-P energy: -22.405
bonds (distance) P-C4' energy: -21.441
flat angles C4'-P-C4' energy: -22.457
flat angles P-C4'-P energy: -18.376
tors. eta vs tors. theta energy: -19.646
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 424
Temperature: 1.100000
Total energy: -258.954639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.954639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.954639 (E_RNA)
where:
Base-Base interactions energy: -182.259
where: short stacking energy: -76.520
Base-Backbone interact. energy: -0.063
local terms energy: -76.632207
where:
bonds (distance) C4'-P energy: -20.013
bonds (distance) P-C4' energy: -15.949
flat angles C4'-P-C4' energy: -15.106
flat angles P-C4'-P energy: -10.272
tors. eta vs tors. theta energy: -15.293
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 424
Temperature: 1.150000
Total energy: -248.922249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.922249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.922249 (E_RNA)
where:
Base-Base interactions energy: -165.558
where: short stacking energy: -66.986
Base-Backbone interact. energy: -0.894
local terms energy: -82.470122
where:
bonds (distance) C4'-P energy: -19.433
bonds (distance) P-C4' energy: -20.996
flat angles C4'-P-C4' energy: -17.251
flat angles P-C4'-P energy: -14.808
tors. eta vs tors. theta energy: -9.981
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 424
Temperature: 1.200000
Total energy: -213.756873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.756873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.756873 (E_RNA)
where:
Base-Base interactions energy: -129.033
where: short stacking energy: -74.405
Base-Backbone interact. energy: -0.310
local terms energy: -84.413789
where:
bonds (distance) C4'-P energy: -20.705
bonds (distance) P-C4' energy: -15.459
flat angles C4'-P-C4' energy: -16.767
flat angles P-C4'-P energy: -12.336
tors. eta vs tors. theta energy: -19.147
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 424
Temperature: 1.250000
Total energy: -229.583894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.583894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.583894 (E_RNA)
where:
Base-Base interactions energy: -156.256
where: short stacking energy: -74.278
Base-Backbone interact. energy: 1.202
local terms energy: -74.529470
where:
bonds (distance) C4'-P energy: -13.443
bonds (distance) P-C4' energy: -15.881
flat angles C4'-P-C4' energy: -17.359
flat angles P-C4'-P energy: -10.008
tors. eta vs tors. theta energy: -17.838
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 424
Temperature: 1.300000
Total energy: -118.655149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.655149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.655149 (E_RNA)
where:
Base-Base interactions energy: -55.931
where: short stacking energy: -31.855
Base-Backbone interact. energy: -0.643
local terms energy: -62.081908
where:
bonds (distance) C4'-P energy: -14.695
bonds (distance) P-C4' energy: -19.952
flat angles C4'-P-C4' energy: -15.670
flat angles P-C4'-P energy: -11.395
tors. eta vs tors. theta energy: -0.370
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 424
Temperature: 1.350000
Total energy: -99.056503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.056503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.056503 (E_RNA)
where:
Base-Base interactions energy: -37.043
where: short stacking energy: -28.160
Base-Backbone interact. energy: -0.132
local terms energy: -61.880946
where:
bonds (distance) C4'-P energy: -17.941
bonds (distance) P-C4' energy: -15.698
flat angles C4'-P-C4' energy: -15.220
flat angles P-C4'-P energy: -12.694
tors. eta vs tors. theta energy: -0.327
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 425
Temperature: 0.900000
Total energy: -351.454680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.454680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.454680 (E_RNA)
where:
Base-Base interactions energy: -250.815
where: short stacking energy: -95.807
Base-Backbone interact. energy: 1.359
local terms energy: -101.998977
where:
bonds (distance) C4'-P energy: -16.711
bonds (distance) P-C4' energy: -22.628
flat angles C4'-P-C4' energy: -20.175
flat angles P-C4'-P energy: -17.599
tors. eta vs tors. theta energy: -24.887
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 425
Temperature: 0.950000
Total energy: -343.417282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.417282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.417282 (E_RNA)
where:
Base-Base interactions energy: -249.015
where: short stacking energy: -99.521
Base-Backbone interact. energy: -0.778
local terms energy: -93.624835
where:
bonds (distance) C4'-P energy: -16.507
bonds (distance) P-C4' energy: -19.570
flat angles C4'-P-C4' energy: -21.860
flat angles P-C4'-P energy: -12.628
tors. eta vs tors. theta energy: -23.060
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 425
Temperature: 1.000000
Total energy: -323.254364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.254364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.254364 (E_RNA)
where:
Base-Base interactions energy: -232.636
where: short stacking energy: -97.312
Base-Backbone interact. energy: -1.044
local terms energy: -89.574376
where:
bonds (distance) C4'-P energy: -19.903
bonds (distance) P-C4' energy: -19.864
flat angles C4'-P-C4' energy: -15.746
flat angles P-C4'-P energy: -6.457
tors. eta vs tors. theta energy: -27.604
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 425
Temperature: 1.050000
Total energy: -274.801088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.801088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.801088 (E_RNA)
where:
Base-Base interactions energy: -179.441
where: short stacking energy: -83.412
Base-Backbone interact. energy: -0.135
local terms energy: -95.224964
where:
bonds (distance) C4'-P energy: -21.857
bonds (distance) P-C4' energy: -23.758
flat angles C4'-P-C4' energy: -14.785
flat angles P-C4'-P energy: -14.402
tors. eta vs tors. theta energy: -20.423
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 425
Temperature: 1.100000
Total energy: -260.517488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.517488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.517488 (E_RNA)
where:
Base-Base interactions energy: -173.465
where: short stacking energy: -79.618
Base-Backbone interact. energy: -0.321
local terms energy: -86.731004
where:
bonds (distance) C4'-P energy: -15.526
bonds (distance) P-C4' energy: -22.244
flat angles C4'-P-C4' energy: -17.299
flat angles P-C4'-P energy: -13.670
tors. eta vs tors. theta energy: -17.993
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 425
Temperature: 1.150000
Total energy: -244.969295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.969295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.969295 (E_RNA)
where:
Base-Base interactions energy: -162.819
where: short stacking energy: -64.027
Base-Backbone interact. energy: -0.218
local terms energy: -81.932059
where:
bonds (distance) C4'-P energy: -11.813
bonds (distance) P-C4' energy: -18.711
flat angles C4'-P-C4' energy: -19.673
flat angles P-C4'-P energy: -14.985
tors. eta vs tors. theta energy: -16.750
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 425
Temperature: 1.200000
Total energy: -222.472180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.472180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.472180 (E_RNA)
where:
Base-Base interactions energy: -133.705
where: short stacking energy: -70.948
Base-Backbone interact. energy: -0.500
local terms energy: -88.267218
where:
bonds (distance) C4'-P energy: -20.497
bonds (distance) P-C4' energy: -19.838
flat angles C4'-P-C4' energy: -16.285
flat angles P-C4'-P energy: -14.462
tors. eta vs tors. theta energy: -17.185
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 425
Temperature: 1.250000
Total energy: -216.891029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.891029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.891029 (E_RNA)
where:
Base-Base interactions energy: -138.823
where: short stacking energy: -60.886
Base-Backbone interact. energy: -0.205
local terms energy: -77.862886
where:
bonds (distance) C4'-P energy: -11.780
bonds (distance) P-C4' energy: -18.964
flat angles C4'-P-C4' energy: -19.888
flat angles P-C4'-P energy: -9.487
tors. eta vs tors. theta energy: -17.744
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 425
Temperature: 1.300000
Total energy: -116.972506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.972506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.972506 (E_RNA)
where:
Base-Base interactions energy: -47.764
where: short stacking energy: -47.764
Base-Backbone interact. energy: -0.328
local terms energy: -68.880597
where:
bonds (distance) C4'-P energy: -17.207
bonds (distance) P-C4' energy: -19.199
flat angles C4'-P-C4' energy: -10.360
flat angles P-C4'-P energy: -12.366
tors. eta vs tors. theta energy: -9.748
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 425
Temperature: 1.350000
Total energy: -103.832783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.832783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.832783 (E_RNA)
where:
Base-Base interactions energy: -45.101
where: short stacking energy: -44.682
Base-Backbone interact. energy: -0.222
local terms energy: -58.510697
where:
bonds (distance) C4'-P energy: -15.937
bonds (distance) P-C4' energy: -19.474
flat angles C4'-P-C4' energy: -15.452
flat angles P-C4'-P energy: -3.540
tors. eta vs tors. theta energy: -4.109
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 426
Temperature: 0.900000
Total energy: -347.762333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.762333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.762333 (E_RNA)
where:
Base-Base interactions energy: -246.615
where: short stacking energy: -99.134
Base-Backbone interact. energy: -0.349
local terms energy: -100.798562
where:
bonds (distance) C4'-P energy: -16.633
bonds (distance) P-C4' energy: -21.759
flat angles C4'-P-C4' energy: -23.094
flat angles P-C4'-P energy: -12.884
tors. eta vs tors. theta energy: -26.428
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 426
Temperature: 0.950000
Total energy: -344.652465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.652465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.652465 (E_RNA)
where:
Base-Base interactions energy: -246.824
where: short stacking energy: -99.999
Base-Backbone interact. energy: -0.219
local terms energy: -97.610015
where:
bonds (distance) C4'-P energy: -18.386
bonds (distance) P-C4' energy: -18.357
flat angles C4'-P-C4' energy: -22.030
flat angles P-C4'-P energy: -13.809
tors. eta vs tors. theta energy: -25.028
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 426
Temperature: 1.000000
Total energy: -315.045142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.045142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.045142 (E_RNA)
where:
Base-Base interactions energy: -216.430
where: short stacking energy: -90.036
Base-Backbone interact. energy: -0.967
local terms energy: -97.648729
where:
bonds (distance) C4'-P energy: -17.426
bonds (distance) P-C4' energy: -20.590
flat angles C4'-P-C4' energy: -19.601
flat angles P-C4'-P energy: -13.211
tors. eta vs tors. theta energy: -26.820
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 426
Temperature: 1.050000
Total energy: -255.824812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.824812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.824812 (E_RNA)
where:
Base-Base interactions energy: -168.370
where: short stacking energy: -72.346
Base-Backbone interact. energy: -0.261
local terms energy: -87.193815
where:
bonds (distance) C4'-P energy: -19.256
bonds (distance) P-C4' energy: -17.159
flat angles C4'-P-C4' energy: -20.850
flat angles P-C4'-P energy: -15.011
tors. eta vs tors. theta energy: -14.918
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 426
Temperature: 1.100000
Total energy: -254.904333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.904333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.904333 (E_RNA)
where:
Base-Base interactions energy: -167.538
where: short stacking energy: -81.764
Base-Backbone interact. energy: -0.821
local terms energy: -86.545876
where:
bonds (distance) C4'-P energy: -19.818
bonds (distance) P-C4' energy: -15.498
flat angles C4'-P-C4' energy: -20.547
flat angles P-C4'-P energy: -12.427
tors. eta vs tors. theta energy: -18.257
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 426
Temperature: 1.150000
Total energy: -260.900150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.900150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.900150 (E_RNA)
where:
Base-Base interactions energy: -172.385
where: short stacking energy: -75.470
Base-Backbone interact. energy: -0.072
local terms energy: -88.442483
where:
bonds (distance) C4'-P energy: -18.262
bonds (distance) P-C4' energy: -18.441
flat angles C4'-P-C4' energy: -18.816
flat angles P-C4'-P energy: -13.899
tors. eta vs tors. theta energy: -19.024
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 426
Temperature: 1.200000
Total energy: -228.188229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.188229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.188229 (E_RNA)
where:
Base-Base interactions energy: -150.042
where: short stacking energy: -71.065
Base-Backbone interact. energy: -0.057
local terms energy: -78.089674
where:
bonds (distance) C4'-P energy: -17.460
bonds (distance) P-C4' energy: -18.423
flat angles C4'-P-C4' energy: -17.666
flat angles P-C4'-P energy: -5.905
tors. eta vs tors. theta energy: -18.636
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 426
Temperature: 1.250000
Total energy: -202.297150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.297150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.297150 (E_RNA)
where:
Base-Base interactions energy: -133.420
where: short stacking energy: -63.761
Base-Backbone interact. energy: -0.105
local terms energy: -68.772249
where:
bonds (distance) C4'-P energy: -15.377
bonds (distance) P-C4' energy: -21.954
flat angles C4'-P-C4' energy: -14.459
flat angles P-C4'-P energy: -7.699
tors. eta vs tors. theta energy: -9.283
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 426
Temperature: 1.300000
Total energy: -117.770572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.770572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.770572 (E_RNA)
where:
Base-Base interactions energy: -46.375
where: short stacking energy: -45.624
Base-Backbone interact. energy: -0.058
local terms energy: -71.336831
where:
bonds (distance) C4'-P energy: -16.291
bonds (distance) P-C4' energy: -17.181
flat angles C4'-P-C4' energy: -14.558
flat angles P-C4'-P energy: -9.812
tors. eta vs tors. theta energy: -13.495
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 426
Temperature: 1.350000
Total energy: -108.647283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.647283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.647283 (E_RNA)
where:
Base-Base interactions energy: -44.887
where: short stacking energy: -44.887
Base-Backbone interact. energy: -0.655
local terms energy: -63.105771
where:
bonds (distance) C4'-P energy: -15.257
bonds (distance) P-C4' energy: -16.475
flat angles C4'-P-C4' energy: -18.306
flat angles P-C4'-P energy: -10.162
tors. eta vs tors. theta energy: -2.906
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 427
Temperature: 0.900000
Total energy: -350.753518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.753518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.753518 (E_RNA)
where:
Base-Base interactions energy: -246.462
where: short stacking energy: -102.608
Base-Backbone interact. energy: -0.496
local terms energy: -103.796125
where:
bonds (distance) C4'-P energy: -16.836
bonds (distance) P-C4' energy: -23.648
flat angles C4'-P-C4' energy: -20.729
flat angles P-C4'-P energy: -17.395
tors. eta vs tors. theta energy: -25.188
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 427
Temperature: 0.950000
Total energy: -323.510778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.510778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.510778 (E_RNA)
where:
Base-Base interactions energy: -224.669
where: short stacking energy: -87.710
Base-Backbone interact. energy: -1.110
local terms energy: -97.731498
where:
bonds (distance) C4'-P energy: -21.413
bonds (distance) P-C4' energy: -17.816
flat angles C4'-P-C4' energy: -19.029
flat angles P-C4'-P energy: -13.919
tors. eta vs tors. theta energy: -25.555
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 427
Temperature: 1.000000
Total energy: -344.348035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.348035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.348035 (E_RNA)
where:
Base-Base interactions energy: -245.694
where: short stacking energy: -95.390
Base-Backbone interact. energy: -0.567
local terms energy: -98.087046
where:
bonds (distance) C4'-P energy: -18.328
bonds (distance) P-C4' energy: -15.363
flat angles C4'-P-C4' energy: -25.110
flat angles P-C4'-P energy: -12.025
tors. eta vs tors. theta energy: -27.260
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 427
Temperature: 1.050000
Total energy: -280.697930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.697930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.697930 (E_RNA)
where:
Base-Base interactions energy: -186.319
where: short stacking energy: -87.647
Base-Backbone interact. energy: -0.090
local terms energy: -94.289594
where:
bonds (distance) C4'-P energy: -21.168
bonds (distance) P-C4' energy: -18.537
flat angles C4'-P-C4' energy: -21.478
flat angles P-C4'-P energy: -11.710
tors. eta vs tors. theta energy: -21.397
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 427
Temperature: 1.100000
Total energy: -252.599738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.599738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.599738 (E_RNA)
where:
Base-Base interactions energy: -160.793
where: short stacking energy: -66.199
Base-Backbone interact. energy: -0.456
local terms energy: -91.350319
where:
bonds (distance) C4'-P energy: -21.289
bonds (distance) P-C4' energy: -20.313
flat angles C4'-P-C4' energy: -20.722
flat angles P-C4'-P energy: -12.549
tors. eta vs tors. theta energy: -16.477
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 427
Temperature: 1.150000
Total energy: -233.639896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.639896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.639896 (E_RNA)
where:
Base-Base interactions energy: -157.491
where: short stacking energy: -64.994
Base-Backbone interact. energy: -0.202
local terms energy: -75.947256
where:
bonds (distance) C4'-P energy: -16.559
bonds (distance) P-C4' energy: -18.480
flat angles C4'-P-C4' energy: -17.331
flat angles P-C4'-P energy: -12.206
tors. eta vs tors. theta energy: -11.370
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 427
Temperature: 1.200000
Total energy: -239.281248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.281248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.281248 (E_RNA)
where:
Base-Base interactions energy: -147.776
where: short stacking energy: -70.271
Base-Backbone interact. energy: -0.033
local terms energy: -91.472104
where:
bonds (distance) C4'-P energy: -18.528
bonds (distance) P-C4' energy: -22.176
flat angles C4'-P-C4' energy: -22.429
flat angles P-C4'-P energy: -11.815
tors. eta vs tors. theta energy: -16.525
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 427
Temperature: 1.250000
Total energy: -201.907809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.907809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.907809 (E_RNA)
where:
Base-Base interactions energy: -135.088
where: short stacking energy: -72.788
Base-Backbone interact. energy: -0.021
local terms energy: -66.797881
where:
bonds (distance) C4'-P energy: -15.708
bonds (distance) P-C4' energy: -15.358
flat angles C4'-P-C4' energy: -15.216
flat angles P-C4'-P energy: -5.995
tors. eta vs tors. theta energy: -14.520
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 427
Temperature: 1.300000
Total energy: -104.661143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.661143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.661143 (E_RNA)
where:
Base-Base interactions energy: -42.875
where: short stacking energy: -34.220
Base-Backbone interact. energy: -0.121
local terms energy: -61.664980
where:
bonds (distance) C4'-P energy: -13.771
bonds (distance) P-C4' energy: -20.429
flat angles C4'-P-C4' energy: -13.393
flat angles P-C4'-P energy: -10.712
tors. eta vs tors. theta energy: -3.359
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 427
Temperature: 1.350000
Total energy: -100.115473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.115473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.115473 (E_RNA)
where:
Base-Base interactions energy: -45.488
where: short stacking energy: -34.209
Base-Backbone interact. energy: -0.515
local terms energy: -54.112418
where:
bonds (distance) C4'-P energy: -20.135
bonds (distance) P-C4' energy: -18.446
flat angles C4'-P-C4' energy: -9.494
flat angles P-C4'-P energy: -2.400
tors. eta vs tors. theta energy: -3.638
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 428
Temperature: 0.900000
Total energy: -350.427625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.427625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.427625 (E_RNA)
where:
Base-Base interactions energy: -244.038
where: short stacking energy: -96.396
Base-Backbone interact. energy: -0.651
local terms energy: -105.738705
where:
bonds (distance) C4'-P energy: -20.775
bonds (distance) P-C4' energy: -22.884
flat angles C4'-P-C4' energy: -22.835
flat angles P-C4'-P energy: -14.218
tors. eta vs tors. theta energy: -25.027
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 428
Temperature: 0.950000
Total energy: -326.462220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.462220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.462220 (E_RNA)
where:
Base-Base interactions energy: -225.140
where: short stacking energy: -97.888
Base-Backbone interact. energy: -1.395
local terms energy: -99.927578
where:
bonds (distance) C4'-P energy: -16.601
bonds (distance) P-C4' energy: -19.622
flat angles C4'-P-C4' energy: -21.491
flat angles P-C4'-P energy: -14.086
tors. eta vs tors. theta energy: -28.128
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 428
Temperature: 1.000000
Total energy: -349.432997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.432997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.432997 (E_RNA)
where:
Base-Base interactions energy: -249.764
where: short stacking energy: -98.902
Base-Backbone interact. energy: 0.125
local terms energy: -99.794604
where:
bonds (distance) C4'-P energy: -20.228
bonds (distance) P-C4' energy: -19.931
flat angles C4'-P-C4' energy: -22.021
flat angles P-C4'-P energy: -14.636
tors. eta vs tors. theta energy: -22.979
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 428
Temperature: 1.050000
Total energy: -289.434502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.434502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.434502 (E_RNA)
where:
Base-Base interactions energy: -198.421
where: short stacking energy: -92.252
Base-Backbone interact. energy: -0.147
local terms energy: -90.866522
where:
bonds (distance) C4'-P energy: -13.180
bonds (distance) P-C4' energy: -19.886
flat angles C4'-P-C4' energy: -19.015
flat angles P-C4'-P energy: -13.942
tors. eta vs tors. theta energy: -24.843
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 428
Temperature: 1.100000
Total energy: -245.977784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.977784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.977784 (E_RNA)
where:
Base-Base interactions energy: -160.705
where: short stacking energy: -66.989
Base-Backbone interact. energy: -0.103
local terms energy: -85.169196
where:
bonds (distance) C4'-P energy: -15.945
bonds (distance) P-C4' energy: -21.630
flat angles C4'-P-C4' energy: -19.455
flat angles P-C4'-P energy: -10.538
tors. eta vs tors. theta energy: -17.602
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 428
Temperature: 1.150000
Total energy: -263.636713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.636713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.636713 (E_RNA)
where:
Base-Base interactions energy: -175.113
where: short stacking energy: -71.188
Base-Backbone interact. energy: -0.006
local terms energy: -88.517589
where:
bonds (distance) C4'-P energy: -16.711
bonds (distance) P-C4' energy: -23.202
flat angles C4'-P-C4' energy: -19.818
flat angles P-C4'-P energy: -13.717
tors. eta vs tors. theta energy: -15.069
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 428
Temperature: 1.200000
Total energy: -238.595460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.595460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.595460 (E_RNA)
where:
Base-Base interactions energy: -166.364
where: short stacking energy: -71.035
Base-Backbone interact. energy: -0.198
local terms energy: -72.034250
where:
bonds (distance) C4'-P energy: -19.297
bonds (distance) P-C4' energy: -19.295
flat angles C4'-P-C4' energy: -17.148
flat angles P-C4'-P energy: -6.917
tors. eta vs tors. theta energy: -9.377
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 428
Temperature: 1.250000
Total energy: -190.921646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.921646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.921646 (E_RNA)
where:
Base-Base interactions energy: -121.477
where: short stacking energy: -62.612
Base-Backbone interact. energy: 0.865
local terms energy: -70.309682
where:
bonds (distance) C4'-P energy: -17.343
bonds (distance) P-C4' energy: -16.878
flat angles C4'-P-C4' energy: -14.893
flat angles P-C4'-P energy: -9.017
tors. eta vs tors. theta energy: -12.178
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 428
Temperature: 1.300000
Total energy: -130.980315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.980315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.980315 (E_RNA)
where:
Base-Base interactions energy: -57.706
where: short stacking energy: -39.968
Base-Backbone interact. energy: 1.141
local terms energy: -74.415394
where:
bonds (distance) C4'-P energy: -16.657
bonds (distance) P-C4' energy: -19.834
flat angles C4'-P-C4' energy: -18.666
flat angles P-C4'-P energy: -8.503
tors. eta vs tors. theta energy: -10.755
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 428
Temperature: 1.350000
Total energy: -107.963172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.963172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.963172 (E_RNA)
where:
Base-Base interactions energy: -38.224
where: short stacking energy: -38.224
Base-Backbone interact. energy: 1.374
local terms energy: -71.112759
where:
bonds (distance) C4'-P energy: -19.505
bonds (distance) P-C4' energy: -15.107
flat angles C4'-P-C4' energy: -17.471
flat angles P-C4'-P energy: -11.909
tors. eta vs tors. theta energy: -7.121
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 429
Temperature: 0.900000
Total energy: -350.670408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.670408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.670408 (E_RNA)
where:
Base-Base interactions energy: -248.769
where: short stacking energy: -96.070
Base-Backbone interact. energy: -0.490
local terms energy: -101.411377
where:
bonds (distance) C4'-P energy: -20.096
bonds (distance) P-C4' energy: -21.313
flat angles C4'-P-C4' energy: -23.070
flat angles P-C4'-P energy: -16.448
tors. eta vs tors. theta energy: -20.485
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 429
Temperature: 0.950000
Total energy: -346.701682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.701682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.701682 (E_RNA)
where:
Base-Base interactions energy: -246.441
where: short stacking energy: -88.918
Base-Backbone interact. energy: 0.307
local terms energy: -100.567782
where:
bonds (distance) C4'-P energy: -17.340
bonds (distance) P-C4' energy: -17.097
flat angles C4'-P-C4' energy: -23.147
flat angles P-C4'-P energy: -16.342
tors. eta vs tors. theta energy: -26.641
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 429
Temperature: 1.000000
Total energy: -319.841805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.841805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.841805 (E_RNA)
where:
Base-Base interactions energy: -232.095
where: short stacking energy: -93.364
Base-Backbone interact. energy: -0.212
local terms energy: -87.535520
where:
bonds (distance) C4'-P energy: -13.888
bonds (distance) P-C4' energy: -16.541
flat angles C4'-P-C4' energy: -19.082
flat angles P-C4'-P energy: -10.973
tors. eta vs tors. theta energy: -27.052
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 429
Temperature: 1.050000
Total energy: -250.099161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.099161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.099161 (E_RNA)
where:
Base-Base interactions energy: -164.012
where: short stacking energy: -79.501
Base-Backbone interact. energy: -0.228
local terms energy: -85.859088
where:
bonds (distance) C4'-P energy: -21.419
bonds (distance) P-C4' energy: -14.674
flat angles C4'-P-C4' energy: -17.608
flat angles P-C4'-P energy: -16.502
tors. eta vs tors. theta energy: -15.657
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 429
Temperature: 1.100000
Total energy: -268.884177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.884177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.884177 (E_RNA)
where:
Base-Base interactions energy: -173.428
where: short stacking energy: -94.411
Base-Backbone interact. energy: 0.074
local terms energy: -95.530783
where:
bonds (distance) C4'-P energy: -14.545
bonds (distance) P-C4' energy: -18.109
flat angles C4'-P-C4' energy: -18.946
flat angles P-C4'-P energy: -15.146
tors. eta vs tors. theta energy: -28.785
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 429
Temperature: 1.150000
Total energy: -250.365916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.365916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.365916 (E_RNA)
where:
Base-Base interactions energy: -161.029
where: short stacking energy: -69.704
Base-Backbone interact. energy: 2.664
local terms energy: -92.001104
where:
bonds (distance) C4'-P energy: -20.818
bonds (distance) P-C4' energy: -18.576
flat angles C4'-P-C4' energy: -19.852
flat angles P-C4'-P energy: -15.677
tors. eta vs tors. theta energy: -17.077
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 429
Temperature: 1.200000
Total energy: -234.025166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.025166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.025166 (E_RNA)
where:
Base-Base interactions energy: -165.883
where: short stacking energy: -64.978
Base-Backbone interact. energy: -0.483
local terms energy: -67.658920
where:
bonds (distance) C4'-P energy: -14.097
bonds (distance) P-C4' energy: -16.954
flat angles C4'-P-C4' energy: -14.261
flat angles P-C4'-P energy: -11.831
tors. eta vs tors. theta energy: -10.516
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 429
Temperature: 1.250000
Total energy: -180.212968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.212968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.212968 (E_RNA)
where:
Base-Base interactions energy: -109.258
where: short stacking energy: -60.441
Base-Backbone interact. energy: -0.578
local terms energy: -70.377393
where:
bonds (distance) C4'-P energy: -12.855
bonds (distance) P-C4' energy: -15.208
flat angles C4'-P-C4' energy: -21.609
flat angles P-C4'-P energy: -10.519
tors. eta vs tors. theta energy: -10.185
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 429
Temperature: 1.300000
Total energy: -122.471057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.471057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.471057 (E_RNA)
where:
Base-Base interactions energy: -67.428
where: short stacking energy: -37.716
Base-Backbone interact. energy: -1.083
local terms energy: -53.959855
where:
bonds (distance) C4'-P energy: -18.879
bonds (distance) P-C4' energy: -16.244
flat angles C4'-P-C4' energy: -14.369
flat angles P-C4'-P energy: -2.923
tors. eta vs tors. theta energy: -1.545
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 429
Temperature: 1.350000
Total energy: -109.435259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.435259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.435259 (E_RNA)
where:
Base-Base interactions energy: -37.948
where: short stacking energy: -37.948
Base-Backbone interact. energy: -0.028
local terms energy: -71.459563
where:
bonds (distance) C4'-P energy: -18.379
bonds (distance) P-C4' energy: -14.802
flat angles C4'-P-C4' energy: -15.648
flat angles P-C4'-P energy: -13.129
tors. eta vs tors. theta energy: -9.502
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 430
Temperature: 0.900000
Total energy: -354.238517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.238517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.238517 (E_RNA)
where:
Base-Base interactions energy: -252.717
where: short stacking energy: -103.097
Base-Backbone interact. energy: -0.740
local terms energy: -100.781899
where:
bonds (distance) C4'-P energy: -19.539
bonds (distance) P-C4' energy: -20.713
flat angles C4'-P-C4' energy: -22.857
flat angles P-C4'-P energy: -13.624
tors. eta vs tors. theta energy: -24.048
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 430
Temperature: 0.950000
Total energy: -345.933072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.933072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.933072 (E_RNA)
where:
Base-Base interactions energy: -245.169
where: short stacking energy: -88.294
Base-Backbone interact. energy: -0.422
local terms energy: -100.341661
where:
bonds (distance) C4'-P energy: -15.953
bonds (distance) P-C4' energy: -21.606
flat angles C4'-P-C4' energy: -23.457
flat angles P-C4'-P energy: -15.118
tors. eta vs tors. theta energy: -24.207
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 430
Temperature: 1.000000
Total energy: -309.637739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.637739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.637739 (E_RNA)
where:
Base-Base interactions energy: -217.466
where: short stacking energy: -91.202
Base-Backbone interact. energy: -0.968
local terms energy: -91.203885
where:
bonds (distance) C4'-P energy: -15.660
bonds (distance) P-C4' energy: -20.664
flat angles C4'-P-C4' energy: -22.148
flat angles P-C4'-P energy: -10.070
tors. eta vs tors. theta energy: -22.663
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 430
Temperature: 1.050000
Total energy: -255.276451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.276451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.276451 (E_RNA)
where:
Base-Base interactions energy: -152.244
where: short stacking energy: -66.470
Base-Backbone interact. energy: -0.102
local terms energy: -102.930280
where:
bonds (distance) C4'-P energy: -24.666
bonds (distance) P-C4' energy: -22.470
flat angles C4'-P-C4' energy: -21.240
flat angles P-C4'-P energy: -15.257
tors. eta vs tors. theta energy: -19.297
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 430
Temperature: 1.100000
Total energy: -270.526384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.526384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.526384 (E_RNA)
where:
Base-Base interactions energy: -173.497
where: short stacking energy: -89.415
Base-Backbone interact. energy: -1.593
local terms energy: -95.436130
where:
bonds (distance) C4'-P energy: -19.293
bonds (distance) P-C4' energy: -21.081
flat angles C4'-P-C4' energy: -18.029
flat angles P-C4'-P energy: -13.075
tors. eta vs tors. theta energy: -23.959
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 430
Temperature: 1.150000
Total energy: -240.517623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.517623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.517623 (E_RNA)
where:
Base-Base interactions energy: -159.822
where: short stacking energy: -84.817
Base-Backbone interact. energy: -0.470
local terms energy: -80.225409
where:
bonds (distance) C4'-P energy: -13.265
bonds (distance) P-C4' energy: -19.480
flat angles C4'-P-C4' energy: -18.284
flat angles P-C4'-P energy: -5.680
tors. eta vs tors. theta energy: -23.517
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 430
Temperature: 1.200000
Total energy: -194.796033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.796033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.796033 (E_RNA)
where:
Base-Base interactions energy: -124.408
where: short stacking energy: -70.742
Base-Backbone interact. energy: -0.739
local terms energy: -69.648675
where:
bonds (distance) C4'-P energy: -12.550
bonds (distance) P-C4' energy: -19.327
flat angles C4'-P-C4' energy: -19.836
flat angles P-C4'-P energy: -5.391
tors. eta vs tors. theta energy: -12.544
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 430
Temperature: 1.250000
Total energy: -213.186048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.186048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.186048 (E_RNA)
where:
Base-Base interactions energy: -144.283
where: short stacking energy: -65.276
Base-Backbone interact. energy: -0.471
local terms energy: -68.431267
where:
bonds (distance) C4'-P energy: -13.068
bonds (distance) P-C4' energy: -19.969
flat angles C4'-P-C4' energy: -13.338
flat angles P-C4'-P energy: -9.920
tors. eta vs tors. theta energy: -12.138
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 430
Temperature: 1.300000
Total energy: -109.760455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.760455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.760455 (E_RNA)
where:
Base-Base interactions energy: -43.137
where: short stacking energy: -40.999
Base-Backbone interact. energy: -0.096
local terms energy: -66.527488
where:
bonds (distance) C4'-P energy: -13.779
bonds (distance) P-C4' energy: -19.415
flat angles C4'-P-C4' energy: -18.254
flat angles P-C4'-P energy: -9.903
tors. eta vs tors. theta energy: -5.177
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 430
Temperature: 1.350000
Total energy: -113.925133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.925133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.925133 (E_RNA)
where:
Base-Base interactions energy: -49.992
where: short stacking energy: -49.421
Base-Backbone interact. energy: -0.199
local terms energy: -63.734010
where:
bonds (distance) C4'-P energy: -19.755
bonds (distance) P-C4' energy: -20.574
flat angles C4'-P-C4' energy: -15.034
flat angles P-C4'-P energy: -3.095
tors. eta vs tors. theta energy: -5.276
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 431
Temperature: 0.900000
Total energy: -359.024238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.024238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.024238 (E_RNA)
where:
Base-Base interactions energy: -257.542
where: short stacking energy: -99.051
Base-Backbone interact. energy: -0.470
local terms energy: -101.011881
where:
bonds (distance) C4'-P energy: -22.250
bonds (distance) P-C4' energy: -20.840
flat angles C4'-P-C4' energy: -20.088
flat angles P-C4'-P energy: -14.800
tors. eta vs tors. theta energy: -23.034
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 431
Temperature: 0.950000
Total energy: -339.626270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.626270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.626270 (E_RNA)
where:
Base-Base interactions energy: -245.660
where: short stacking energy: -100.093
Base-Backbone interact. energy: -0.447
local terms energy: -93.519097
where:
bonds (distance) C4'-P energy: -20.895
bonds (distance) P-C4' energy: -19.769
flat angles C4'-P-C4' energy: -17.544
flat angles P-C4'-P energy: -11.560
tors. eta vs tors. theta energy: -23.750
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 431
Temperature: 1.000000
Total energy: -310.717582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.717582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.717582 (E_RNA)
where:
Base-Base interactions energy: -210.661
where: short stacking energy: -95.060
Base-Backbone interact. energy: -1.416
local terms energy: -98.639803
where:
bonds (distance) C4'-P energy: -19.165
bonds (distance) P-C4' energy: -19.952
flat angles C4'-P-C4' energy: -17.664
flat angles P-C4'-P energy: -16.001
tors. eta vs tors. theta energy: -25.858
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 431
Temperature: 1.050000
Total energy: -272.814862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.814862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.814862 (E_RNA)
where:
Base-Base interactions energy: -185.152
where: short stacking energy: -94.591
Base-Backbone interact. energy: -0.750
local terms energy: -86.912679
where:
bonds (distance) C4'-P energy: -14.304
bonds (distance) P-C4' energy: -18.387
flat angles C4'-P-C4' energy: -22.797
flat angles P-C4'-P energy: -12.772
tors. eta vs tors. theta energy: -18.652
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 431
Temperature: 1.100000
Total energy: -256.075717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.075717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.075717 (E_RNA)
where:
Base-Base interactions energy: -170.626
where: short stacking energy: -74.748
Base-Backbone interact. energy: 0.546
local terms energy: -85.995685
where:
bonds (distance) C4'-P energy: -18.626
bonds (distance) P-C4' energy: -17.794
flat angles C4'-P-C4' energy: -17.379
flat angles P-C4'-P energy: -14.248
tors. eta vs tors. theta energy: -17.950
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 431
Temperature: 1.150000
Total energy: -235.740927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.740927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.740927 (E_RNA)
where:
Base-Base interactions energy: -150.906
where: short stacking energy: -62.821
Base-Backbone interact. energy: -0.055
local terms energy: -84.779820
where:
bonds (distance) C4'-P energy: -16.988
bonds (distance) P-C4' energy: -20.927
flat angles C4'-P-C4' energy: -21.984
flat angles P-C4'-P energy: -10.506
tors. eta vs tors. theta energy: -14.375
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 431
Temperature: 1.200000
Total energy: -220.909576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.909576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.909576 (E_RNA)
where:
Base-Base interactions energy: -147.327
where: short stacking energy: -57.056
Base-Backbone interact. energy: -0.177
local terms energy: -73.405110
where:
bonds (distance) C4'-P energy: -18.151
bonds (distance) P-C4' energy: -21.239
flat angles C4'-P-C4' energy: -16.730
flat angles P-C4'-P energy: -4.889
tors. eta vs tors. theta energy: -12.396
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 431
Temperature: 1.250000
Total energy: -222.047424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.047424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.047424 (E_RNA)
where:
Base-Base interactions energy: -131.903
where: short stacking energy: -65.433
Base-Backbone interact. energy: -0.275
local terms energy: -89.869992
where:
bonds (distance) C4'-P energy: -16.590
bonds (distance) P-C4' energy: -18.663
flat angles C4'-P-C4' energy: -20.569
flat angles P-C4'-P energy: -16.184
tors. eta vs tors. theta energy: -17.863
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 431
Temperature: 1.300000
Total energy: -126.788455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.788455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.788455 (E_RNA)
where:
Base-Base interactions energy: -67.982
where: short stacking energy: -51.438
Base-Backbone interact. energy: -0.246
local terms energy: -58.561224
where:
bonds (distance) C4'-P energy: -18.089
bonds (distance) P-C4' energy: -13.357
flat angles C4'-P-C4' energy: -10.547
flat angles P-C4'-P energy: -14.342
tors. eta vs tors. theta energy: -2.226
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 431
Temperature: 1.350000
Total energy: -111.396879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.396879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.396879 (E_RNA)
where:
Base-Base interactions energy: -41.222
where: short stacking energy: -38.924
Base-Backbone interact. energy: 1.940
local terms energy: -72.115098
where:
bonds (distance) C4'-P energy: -17.645
bonds (distance) P-C4' energy: -16.958
flat angles C4'-P-C4' energy: -19.389
flat angles P-C4'-P energy: -7.029
tors. eta vs tors. theta energy: -11.094
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 432
Temperature: 0.900000
Total energy: -338.972914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.972914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.972914 (E_RNA)
where:
Base-Base interactions energy: -239.630
where: short stacking energy: -99.632
Base-Backbone interact. energy: -0.304
local terms energy: -99.038554
where:
bonds (distance) C4'-P energy: -17.531
bonds (distance) P-C4' energy: -20.260
flat angles C4'-P-C4' energy: -18.575
flat angles P-C4'-P energy: -15.342
tors. eta vs tors. theta energy: -27.330
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 432
Temperature: 0.950000
Total energy: -342.510793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.510793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.510793 (E_RNA)
where:
Base-Base interactions energy: -249.539
where: short stacking energy: -97.384
Base-Backbone interact. energy: 0.311
local terms energy: -93.283225
where:
bonds (distance) C4'-P energy: -19.000
bonds (distance) P-C4' energy: -20.674
flat angles C4'-P-C4' energy: -19.405
flat angles P-C4'-P energy: -12.358
tors. eta vs tors. theta energy: -21.846
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 432
Temperature: 1.000000
Total energy: -318.612252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.612252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.612252 (E_RNA)
where:
Base-Base interactions energy: -216.274
where: short stacking energy: -103.386
Base-Backbone interact. energy: -1.489
local terms energy: -100.849898
where:
bonds (distance) C4'-P energy: -22.274
bonds (distance) P-C4' energy: -18.357
flat angles C4'-P-C4' energy: -19.657
flat angles P-C4'-P energy: -14.436
tors. eta vs tors. theta energy: -26.125
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 432
Temperature: 1.050000
Total energy: -290.136563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.136563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.136563 (E_RNA)
where:
Base-Base interactions energy: -202.025
where: short stacking energy: -92.845
Base-Backbone interact. energy: -0.847
local terms energy: -87.264972
where:
bonds (distance) C4'-P energy: -14.743
bonds (distance) P-C4' energy: -16.744
flat angles C4'-P-C4' energy: -17.980
flat angles P-C4'-P energy: -12.274
tors. eta vs tors. theta energy: -25.524
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 432
Temperature: 1.100000
Total energy: -270.913597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.913597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.913597 (E_RNA)
where:
Base-Base interactions energy: -179.801
where: short stacking energy: -85.483
Base-Backbone interact. energy: -0.031
local terms energy: -91.082070
where:
bonds (distance) C4'-P energy: -19.986
bonds (distance) P-C4' energy: -14.606
flat angles C4'-P-C4' energy: -18.973
flat angles P-C4'-P energy: -13.953
tors. eta vs tors. theta energy: -23.563
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 432
Temperature: 1.150000
Total energy: -235.746794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.746794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.746794 (E_RNA)
where:
Base-Base interactions energy: -153.849
where: short stacking energy: -62.178
Base-Backbone interact. energy: -0.037
local terms energy: -81.861107
where:
bonds (distance) C4'-P energy: -16.295
bonds (distance) P-C4' energy: -16.945
flat angles C4'-P-C4' energy: -18.429
flat angles P-C4'-P energy: -14.286
tors. eta vs tors. theta energy: -15.907
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 432
Temperature: 1.200000
Total energy: -235.472615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.472615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.472615 (E_RNA)
where:
Base-Base interactions energy: -152.295
where: short stacking energy: -80.262
Base-Backbone interact. energy: -0.230
local terms energy: -82.947960
where:
bonds (distance) C4'-P energy: -17.525
bonds (distance) P-C4' energy: -20.735
flat angles C4'-P-C4' energy: -16.055
flat angles P-C4'-P energy: -11.291
tors. eta vs tors. theta energy: -17.342
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 432
Temperature: 1.250000
Total energy: -188.324410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.324410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.324410 (E_RNA)
where:
Base-Base interactions energy: -122.862
where: short stacking energy: -65.189
Base-Backbone interact. energy: -0.505
local terms energy: -64.957500
where:
bonds (distance) C4'-P energy: -13.630
bonds (distance) P-C4' energy: -17.551
flat angles C4'-P-C4' energy: -12.368
flat angles P-C4'-P energy: -7.623
tors. eta vs tors. theta energy: -13.786
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 432
Temperature: 1.300000
Total energy: -126.893195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.893195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.893195 (E_RNA)
where:
Base-Base interactions energy: -64.773
where: short stacking energy: -40.766
Base-Backbone interact. energy: 0.402
local terms energy: -62.521887
where:
bonds (distance) C4'-P energy: -18.138
bonds (distance) P-C4' energy: -17.920
flat angles C4'-P-C4' energy: -12.752
flat angles P-C4'-P energy: -7.470
tors. eta vs tors. theta energy: -6.242
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 432
Temperature: 1.350000
Total energy: -120.349709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.349709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.349709 (E_RNA)
where:
Base-Base interactions energy: -59.887
where: short stacking energy: -42.236
Base-Backbone interact. energy: -0.152
local terms energy: -60.310942
where:
bonds (distance) C4'-P energy: -12.306
bonds (distance) P-C4' energy: -17.118
flat angles C4'-P-C4' energy: -15.283
flat angles P-C4'-P energy: -7.468
tors. eta vs tors. theta energy: -8.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 433
Temperature: 0.900000
Total energy: -338.587968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.587968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.587968 (E_RNA)
where:
Base-Base interactions energy: -238.743
where: short stacking energy: -101.634
Base-Backbone interact. energy: 1.187
local terms energy: -101.031585
where:
bonds (distance) C4'-P energy: -16.486
bonds (distance) P-C4' energy: -19.620
flat angles C4'-P-C4' energy: -23.038
flat angles P-C4'-P energy: -15.463
tors. eta vs tors. theta energy: -26.425
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 433
Temperature: 0.950000
Total energy: -325.504851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.504851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.504851 (E_RNA)
where:
Base-Base interactions energy: -223.355
where: short stacking energy: -88.390
Base-Backbone interact. energy: -1.192
local terms energy: -100.957524
where:
bonds (distance) C4'-P energy: -19.848
bonds (distance) P-C4' energy: -20.685
flat angles C4'-P-C4' energy: -19.292
flat angles P-C4'-P energy: -16.497
tors. eta vs tors. theta energy: -24.636
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 433
Temperature: 1.000000
Total energy: -339.609632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.609632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.609632 (E_RNA)
where:
Base-Base interactions energy: -239.191
where: short stacking energy: -98.871
Base-Backbone interact. energy: 0.892
local terms energy: -101.310820
where:
bonds (distance) C4'-P energy: -18.556
bonds (distance) P-C4' energy: -19.322
flat angles C4'-P-C4' energy: -22.567
flat angles P-C4'-P energy: -13.500
tors. eta vs tors. theta energy: -27.366
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 433
Temperature: 1.050000
Total energy: -278.745523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.745523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.745523 (E_RNA)
where:
Base-Base interactions energy: -204.542
where: short stacking energy: -75.905
Base-Backbone interact. energy: -0.397
local terms energy: -73.807047
where:
bonds (distance) C4'-P energy: -15.383
bonds (distance) P-C4' energy: -19.646
flat angles C4'-P-C4' energy: -19.229
flat angles P-C4'-P energy: -7.406
tors. eta vs tors. theta energy: -12.143
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 433
Temperature: 1.100000
Total energy: -262.496155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.496155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.496155 (E_RNA)
where:
Base-Base interactions energy: -172.528
where: short stacking energy: -77.500
Base-Backbone interact. energy: -0.063
local terms energy: -89.905802
where:
bonds (distance) C4'-P energy: -19.508
bonds (distance) P-C4' energy: -14.106
flat angles C4'-P-C4' energy: -21.086
flat angles P-C4'-P energy: -12.047
tors. eta vs tors. theta energy: -23.158
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 433
Temperature: 1.150000
Total energy: -256.196711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.196711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.196711 (E_RNA)
where:
Base-Base interactions energy: -160.927
where: short stacking energy: -81.346
Base-Backbone interact. energy: -0.146
local terms energy: -95.123926
where:
bonds (distance) C4'-P energy: -19.873
bonds (distance) P-C4' energy: -17.716
flat angles C4'-P-C4' energy: -19.792
flat angles P-C4'-P energy: -13.642
tors. eta vs tors. theta energy: -24.100
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 433
Temperature: 1.200000
Total energy: -233.616938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.616938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.616938 (E_RNA)
where:
Base-Base interactions energy: -156.730
where: short stacking energy: -69.870
Base-Backbone interact. energy: -0.264
local terms energy: -76.623109
where:
bonds (distance) C4'-P energy: -17.297
bonds (distance) P-C4' energy: -12.861
flat angles C4'-P-C4' energy: -21.432
flat angles P-C4'-P energy: -8.007
tors. eta vs tors. theta energy: -17.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 433
Temperature: 1.250000
Total energy: -188.886096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.886096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.886096 (E_RNA)
where:
Base-Base interactions energy: -109.388
where: short stacking energy: -57.773
Base-Backbone interact. energy: -0.120
local terms energy: -79.377590
where:
bonds (distance) C4'-P energy: -20.274
bonds (distance) P-C4' energy: -18.142
flat angles C4'-P-C4' energy: -18.496
flat angles P-C4'-P energy: -13.494
tors. eta vs tors. theta energy: -8.971
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 433
Temperature: 1.300000
Total energy: -126.244980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.244980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.244980 (E_RNA)
where:
Base-Base interactions energy: -59.728
where: short stacking energy: -43.491
Base-Backbone interact. energy: -0.104
local terms energy: -66.412410
where:
bonds (distance) C4'-P energy: -18.467
bonds (distance) P-C4' energy: -19.041
flat angles C4'-P-C4' energy: -17.694
flat angles P-C4'-P energy: -1.488
tors. eta vs tors. theta energy: -9.722
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 433
Temperature: 1.350000
Total energy: -103.641555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.641555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.641555 (E_RNA)
where:
Base-Base interactions energy: -47.485
where: short stacking energy: -38.302
Base-Backbone interact. energy: 0.104
local terms energy: -56.260294
where:
bonds (distance) C4'-P energy: -8.665
bonds (distance) P-C4' energy: -17.948
flat angles C4'-P-C4' energy: -18.530
flat angles P-C4'-P energy: -10.040
tors. eta vs tors. theta energy: -1.077
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 434
Temperature: 0.900000
Total energy: -339.080415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.080415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.080415 (E_RNA)
where:
Base-Base interactions energy: -242.137
where: short stacking energy: -104.437
Base-Backbone interact. energy: -0.418
local terms energy: -96.525724
where:
bonds (distance) C4'-P energy: -14.812
bonds (distance) P-C4' energy: -19.819
flat angles C4'-P-C4' energy: -21.726
flat angles P-C4'-P energy: -14.503
tors. eta vs tors. theta energy: -25.666
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 434
Temperature: 0.950000
Total energy: -326.148364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.148364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.148364 (E_RNA)
where:
Base-Base interactions energy: -227.531
where: short stacking energy: -93.213
Base-Backbone interact. energy: -1.108
local terms energy: -97.509856
where:
bonds (distance) C4'-P energy: -16.877
bonds (distance) P-C4' energy: -20.608
flat angles C4'-P-C4' energy: -20.422
flat angles P-C4'-P energy: -14.869
tors. eta vs tors. theta energy: -24.733
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 434
Temperature: 1.000000
Total energy: -335.039946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.039946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.039946 (E_RNA)
where:
Base-Base interactions energy: -242.319
where: short stacking energy: -88.321
Base-Backbone interact. energy: 3.035
local terms energy: -95.755741
where:
bonds (distance) C4'-P energy: -19.182
bonds (distance) P-C4' energy: -19.808
flat angles C4'-P-C4' energy: -23.092
flat angles P-C4'-P energy: -13.603
tors. eta vs tors. theta energy: -20.071
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 434
Temperature: 1.050000
Total energy: -291.651405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.651405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.651405 (E_RNA)
where:
Base-Base interactions energy: -206.283
where: short stacking energy: -73.393
Base-Backbone interact. energy: -1.027
local terms energy: -84.341546
where:
bonds (distance) C4'-P energy: -14.350
bonds (distance) P-C4' energy: -19.053
flat angles C4'-P-C4' energy: -22.764
flat angles P-C4'-P energy: -14.457
tors. eta vs tors. theta energy: -13.717
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 434
Temperature: 1.100000
Total energy: -243.466880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.466880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.466880 (E_RNA)
where:
Base-Base interactions energy: -157.409
where: short stacking energy: -78.527
Base-Backbone interact. energy: -0.059
local terms energy: -85.998554
where:
bonds (distance) C4'-P energy: -17.456
bonds (distance) P-C4' energy: -19.206
flat angles C4'-P-C4' energy: -17.655
flat angles P-C4'-P energy: -13.743
tors. eta vs tors. theta energy: -17.939
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 434
Temperature: 1.150000
Total energy: -248.227656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.227656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.227656 (E_RNA)
where:
Base-Base interactions energy: -160.738
where: short stacking energy: -78.627
Base-Backbone interact. energy: -0.017
local terms energy: -87.473475
where:
bonds (distance) C4'-P energy: -20.831
bonds (distance) P-C4' energy: -15.444
flat angles C4'-P-C4' energy: -19.068
flat angles P-C4'-P energy: -14.249
tors. eta vs tors. theta energy: -17.881
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 434
Temperature: 1.200000
Total energy: -224.582570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.582570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.582570 (E_RNA)
where:
Base-Base interactions energy: -145.512
where: short stacking energy: -72.673
Base-Backbone interact. energy: -0.114
local terms energy: -78.955717
where:
bonds (distance) C4'-P energy: -12.173
bonds (distance) P-C4' energy: -20.162
flat angles C4'-P-C4' energy: -20.315
flat angles P-C4'-P energy: -10.479
tors. eta vs tors. theta energy: -15.827
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 434
Temperature: 1.250000
Total energy: -191.697510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.697510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.697510 (E_RNA)
where:
Base-Base interactions energy: -124.013
where: short stacking energy: -62.533
Base-Backbone interact. energy: -1.478
local terms energy: -66.207122
where:
bonds (distance) C4'-P energy: -16.952
bonds (distance) P-C4' energy: -17.406
flat angles C4'-P-C4' energy: -17.101
flat angles P-C4'-P energy: -6.326
tors. eta vs tors. theta energy: -8.423
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 434
Temperature: 1.300000
Total energy: -106.871250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.871250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.871250 (E_RNA)
where:
Base-Base interactions energy: -52.950
where: short stacking energy: -42.767
Base-Backbone interact. energy: 3.799
local terms energy: -57.719687
where:
bonds (distance) C4'-P energy: -15.089
bonds (distance) P-C4' energy: -12.051
flat angles C4'-P-C4' energy: -14.194
flat angles P-C4'-P energy: -9.374
tors. eta vs tors. theta energy: -7.011
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 434
Temperature: 1.350000
Total energy: -105.277581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.277581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.277581 (E_RNA)
where:
Base-Base interactions energy: -43.138
where: short stacking energy: -27.147
Base-Backbone interact. energy: -1.375
local terms energy: -60.764047
where:
bonds (distance) C4'-P energy: -15.215
bonds (distance) P-C4' energy: -19.270
flat angles C4'-P-C4' energy: -17.149
flat angles P-C4'-P energy: -13.382
tors. eta vs tors. theta energy: 4.253
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 435
Temperature: 0.900000
Total energy: -335.183022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.183022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.183022 (E_RNA)
where:
Base-Base interactions energy: -236.724
where: short stacking energy: -94.628
Base-Backbone interact. energy: -0.539
local terms energy: -97.919292
where:
bonds (distance) C4'-P energy: -15.574
bonds (distance) P-C4' energy: -19.506
flat angles C4'-P-C4' energy: -22.058
flat angles P-C4'-P energy: -16.425
tors. eta vs tors. theta energy: -24.357
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 435
Temperature: 0.950000
Total energy: -333.773219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.773219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.773219 (E_RNA)
where:
Base-Base interactions energy: -242.027
where: short stacking energy: -100.302
Base-Backbone interact. energy: -0.638
local terms energy: -91.108262
where:
bonds (distance) C4'-P energy: -15.816
bonds (distance) P-C4' energy: -14.347
flat angles C4'-P-C4' energy: -18.994
flat angles P-C4'-P energy: -14.939
tors. eta vs tors. theta energy: -27.012
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 435
Temperature: 1.000000
Total energy: -313.405027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.405027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.405027 (E_RNA)
where:
Base-Base interactions energy: -211.347
where: short stacking energy: -92.597
Base-Backbone interact. energy: -0.689
local terms energy: -101.368696
where:
bonds (distance) C4'-P energy: -20.172
bonds (distance) P-C4' energy: -18.363
flat angles C4'-P-C4' energy: -22.988
flat angles P-C4'-P energy: -17.360
tors. eta vs tors. theta energy: -22.486
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 435
Temperature: 1.050000
Total energy: -260.402389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.402389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.402389 (E_RNA)
where:
Base-Base interactions energy: -166.295
where: short stacking energy: -86.230
Base-Backbone interact. energy: -0.350
local terms energy: -93.757714
where:
bonds (distance) C4'-P energy: -17.944
bonds (distance) P-C4' energy: -19.722
flat angles C4'-P-C4' energy: -20.140
flat angles P-C4'-P energy: -12.804
tors. eta vs tors. theta energy: -23.148
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 435
Temperature: 1.100000
Total energy: -278.791667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.791667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.791667 (E_RNA)
where:
Base-Base interactions energy: -192.907
where: short stacking energy: -86.876
Base-Backbone interact. energy: -0.650
local terms energy: -85.233927
where:
bonds (distance) C4'-P energy: -16.793
bonds (distance) P-C4' energy: -16.599
flat angles C4'-P-C4' energy: -19.344
flat angles P-C4'-P energy: -10.692
tors. eta vs tors. theta energy: -21.805
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 435
Temperature: 1.150000
Total energy: -236.293941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.293941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.293941 (E_RNA)
where:
Base-Base interactions energy: -157.829
where: short stacking energy: -67.628
Base-Backbone interact. energy: -0.554
local terms energy: -77.911063
where:
bonds (distance) C4'-P energy: -19.563
bonds (distance) P-C4' energy: -13.127
flat angles C4'-P-C4' energy: -17.301
flat angles P-C4'-P energy: -9.047
tors. eta vs tors. theta energy: -18.873
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 435
Temperature: 1.200000
Total energy: -258.606052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.606052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.606052 (E_RNA)
where:
Base-Base interactions energy: -163.829
where: short stacking energy: -72.684
Base-Backbone interact. energy: -0.046
local terms energy: -94.730904
where:
bonds (distance) C4'-P energy: -20.170
bonds (distance) P-C4' energy: -20.064
flat angles C4'-P-C4' energy: -21.269
flat angles P-C4'-P energy: -13.694
tors. eta vs tors. theta energy: -19.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 435
Temperature: 1.250000
Total energy: -196.529712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.529712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.529712 (E_RNA)
where:
Base-Base interactions energy: -116.881
where: short stacking energy: -68.789
Base-Backbone interact. energy: 0.491
local terms energy: -80.139451
where:
bonds (distance) C4'-P energy: -15.489
bonds (distance) P-C4' energy: -19.560
flat angles C4'-P-C4' energy: -15.563
flat angles P-C4'-P energy: -13.406
tors. eta vs tors. theta energy: -16.121
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 435
Temperature: 1.300000
Total energy: -109.908107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.908107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.908107 (E_RNA)
where:
Base-Base interactions energy: -39.552
where: short stacking energy: -39.552
Base-Backbone interact. energy: -0.144
local terms energy: -70.212824
where:
bonds (distance) C4'-P energy: -21.417
bonds (distance) P-C4' energy: -20.402
flat angles C4'-P-C4' energy: -12.540
flat angles P-C4'-P energy: -7.356
tors. eta vs tors. theta energy: -8.497
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 435
Temperature: 1.350000
Total energy: -102.329784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.329784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.329784 (E_RNA)
where:
Base-Base interactions energy: -36.953
where: short stacking energy: -28.200
Base-Backbone interact. energy: -0.230
local terms energy: -65.147003
where:
bonds (distance) C4'-P energy: -16.211
bonds (distance) P-C4' energy: -20.155
flat angles C4'-P-C4' energy: -19.197
flat angles P-C4'-P energy: -12.640
tors. eta vs tors. theta energy: 3.056
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 436
Temperature: 0.900000
Total energy: -341.944611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.944611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.944611 (E_RNA)
where:
Base-Base interactions energy: -238.371
where: short stacking energy: -99.228
Base-Backbone interact. energy: -1.049
local terms energy: -102.524751
where:
bonds (distance) C4'-P energy: -19.455
bonds (distance) P-C4' energy: -20.066
flat angles C4'-P-C4' energy: -22.517
flat angles P-C4'-P energy: -16.529
tors. eta vs tors. theta energy: -23.958
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 436
Temperature: 0.950000
Total energy: -333.119596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.119596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.119596 (E_RNA)
where:
Base-Base interactions energy: -234.569
where: short stacking energy: -100.027
Base-Backbone interact. energy: -0.570
local terms energy: -97.980283
where:
bonds (distance) C4'-P energy: -18.632
bonds (distance) P-C4' energy: -18.405
flat angles C4'-P-C4' energy: -21.696
flat angles P-C4'-P energy: -15.077
tors. eta vs tors. theta energy: -24.170
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 436
Temperature: 1.000000
Total energy: -331.436970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.436970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.436970 (E_RNA)
where:
Base-Base interactions energy: -242.623
where: short stacking energy: -89.032
Base-Backbone interact. energy: -0.354
local terms energy: -88.459571
where:
bonds (distance) C4'-P energy: -18.034
bonds (distance) P-C4' energy: -17.345
flat angles C4'-P-C4' energy: -19.587
flat angles P-C4'-P energy: -12.965
tors. eta vs tors. theta energy: -20.529
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 436
Temperature: 1.050000
Total energy: -259.235019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.235019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.235019 (E_RNA)
where:
Base-Base interactions energy: -172.323
where: short stacking energy: -68.053
Base-Backbone interact. energy: -0.416
local terms energy: -86.496286
where:
bonds (distance) C4'-P energy: -20.921
bonds (distance) P-C4' energy: -15.777
flat angles C4'-P-C4' energy: -18.494
flat angles P-C4'-P energy: -16.830
tors. eta vs tors. theta energy: -14.475
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 436
Temperature: 1.100000
Total energy: -272.776621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.776621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.776621 (E_RNA)
where:
Base-Base interactions energy: -191.994
where: short stacking energy: -87.694
Base-Backbone interact. energy: -0.670
local terms energy: -80.113285
where:
bonds (distance) C4'-P energy: -16.465
bonds (distance) P-C4' energy: -13.384
flat angles C4'-P-C4' energy: -13.043
flat angles P-C4'-P energy: -11.781
tors. eta vs tors. theta energy: -25.440
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 436
Temperature: 1.150000
Total energy: -219.402756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.402756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.402756 (E_RNA)
where:
Base-Base interactions energy: -150.089
where: short stacking energy: -67.266
Base-Backbone interact. energy: -0.151
local terms energy: -69.161902
where:
bonds (distance) C4'-P energy: -13.195
bonds (distance) P-C4' energy: -17.541
flat angles C4'-P-C4' energy: -12.996
flat angles P-C4'-P energy: -8.621
tors. eta vs tors. theta energy: -16.809
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 436
Temperature: 1.200000
Total energy: -204.956529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.956529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.956529 (E_RNA)
where:
Base-Base interactions energy: -128.155
where: short stacking energy: -60.703
Base-Backbone interact. energy: -0.187
local terms energy: -76.614012
where:
bonds (distance) C4'-P energy: -13.856
bonds (distance) P-C4' energy: -18.622
flat angles C4'-P-C4' energy: -19.202
flat angles P-C4'-P energy: -10.397
tors. eta vs tors. theta energy: -14.536
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 436
Temperature: 1.250000
Total energy: -252.212926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.212926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.212926 (E_RNA)
where:
Base-Base interactions energy: -182.811
where: short stacking energy: -76.451
Base-Backbone interact. energy: -0.079
local terms energy: -69.322950
where:
bonds (distance) C4'-P energy: -15.228
bonds (distance) P-C4' energy: -21.030
flat angles C4'-P-C4' energy: -12.555
flat angles P-C4'-P energy: -2.467
tors. eta vs tors. theta energy: -18.042
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 436
Temperature: 1.300000
Total energy: -123.915862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.915862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.915862 (E_RNA)
where:
Base-Base interactions energy: -61.331
where: short stacking energy: -41.058
Base-Backbone interact. energy: 0.245
local terms energy: -62.829963
where:
bonds (distance) C4'-P energy: -15.625
bonds (distance) P-C4' energy: -17.887
flat angles C4'-P-C4' energy: -14.844
flat angles P-C4'-P energy: -4.074
tors. eta vs tors. theta energy: -10.399
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 436
Temperature: 1.350000
Total energy: -115.277574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.277574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.277574 (E_RNA)
where:
Base-Base interactions energy: -49.845
where: short stacking energy: -45.161
Base-Backbone interact. energy: -0.033
local terms energy: -65.399869
where:
bonds (distance) C4'-P energy: -17.915
bonds (distance) P-C4' energy: -13.852
flat angles C4'-P-C4' energy: -14.308
flat angles P-C4'-P energy: -11.820
tors. eta vs tors. theta energy: -7.505
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 437
Temperature: 0.900000
Total energy: -333.099556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.099556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.099556 (E_RNA)
where:
Base-Base interactions energy: -242.506
where: short stacking energy: -96.090
Base-Backbone interact. energy: -1.053
local terms energy: -89.540222
where:
bonds (distance) C4'-P energy: -16.309
bonds (distance) P-C4' energy: -19.441
flat angles C4'-P-C4' energy: -18.852
flat angles P-C4'-P energy: -11.986
tors. eta vs tors. theta energy: -22.953
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 437
Temperature: 0.950000
Total energy: -343.257314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.257314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.257314 (E_RNA)
where:
Base-Base interactions energy: -238.801
where: short stacking energy: -84.715
Base-Backbone interact. energy: -0.398
local terms energy: -104.058320
where:
bonds (distance) C4'-P energy: -19.835
bonds (distance) P-C4' energy: -20.184
flat angles C4'-P-C4' energy: -23.845
flat angles P-C4'-P energy: -16.838
tors. eta vs tors. theta energy: -23.356
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 437
Temperature: 1.000000
Total energy: -331.575411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.575411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.575411 (E_RNA)
where:
Base-Base interactions energy: -240.148
where: short stacking energy: -95.742
Base-Backbone interact. energy: -1.137
local terms energy: -90.290510
where:
bonds (distance) C4'-P energy: -19.556
bonds (distance) P-C4' energy: -17.070
flat angles C4'-P-C4' energy: -19.988
flat angles P-C4'-P energy: -9.506
tors. eta vs tors. theta energy: -24.171
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 437
Temperature: 1.050000
Total energy: -291.854681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.854681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.854681 (E_RNA)
where:
Base-Base interactions energy: -204.176
where: short stacking energy: -89.206
Base-Backbone interact. energy: -1.000
local terms energy: -86.678685
where:
bonds (distance) C4'-P energy: -18.884
bonds (distance) P-C4' energy: -16.463
flat angles C4'-P-C4' energy: -21.112
flat angles P-C4'-P energy: -10.923
tors. eta vs tors. theta energy: -19.296
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 437
Temperature: 1.100000
Total energy: -269.215417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.215417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.215417 (E_RNA)
where:
Base-Base interactions energy: -181.939
where: short stacking energy: -79.260
Base-Backbone interact. energy: -0.069
local terms energy: -87.207340
where:
bonds (distance) C4'-P energy: -18.158
bonds (distance) P-C4' energy: -19.830
flat angles C4'-P-C4' energy: -22.352
flat angles P-C4'-P energy: -8.956
tors. eta vs tors. theta energy: -17.912
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 437
Temperature: 1.150000
Total energy: -254.704197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.704197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.704197 (E_RNA)
where:
Base-Base interactions energy: -175.474
where: short stacking energy: -83.617
Base-Backbone interact. energy: -0.321
local terms energy: -78.909367
where:
bonds (distance) C4'-P energy: -17.711
bonds (distance) P-C4' energy: -14.787
flat angles C4'-P-C4' energy: -14.096
flat angles P-C4'-P energy: -11.550
tors. eta vs tors. theta energy: -20.765
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 437
Temperature: 1.200000
Total energy: -202.268984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.268984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.268984 (E_RNA)
where:
Base-Base interactions energy: -125.522
where: short stacking energy: -67.519
Base-Backbone interact. energy: -1.144
local terms energy: -75.603310
where:
bonds (distance) C4'-P energy: -11.233
bonds (distance) P-C4' energy: -20.985
flat angles C4'-P-C4' energy: -18.413
flat angles P-C4'-P energy: -8.525
tors. eta vs tors. theta energy: -16.447
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 437
Temperature: 1.250000
Total energy: -243.350164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.350164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.350164 (E_RNA)
where:
Base-Base interactions energy: -170.099
where: short stacking energy: -75.891
Base-Backbone interact. energy: -0.064
local terms energy: -73.187633
where:
bonds (distance) C4'-P energy: -15.663
bonds (distance) P-C4' energy: -13.660
flat angles C4'-P-C4' energy: -16.409
flat angles P-C4'-P energy: -8.945
tors. eta vs tors. theta energy: -18.511
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 437
Temperature: 1.300000
Total energy: -103.870008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.870008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.870008 (E_RNA)
where:
Base-Base interactions energy: -43.605
where: short stacking energy: -40.696
Base-Backbone interact. energy: -0.121
local terms energy: -60.144148
where:
bonds (distance) C4'-P energy: -16.615
bonds (distance) P-C4' energy: -17.352
flat angles C4'-P-C4' energy: -12.883
flat angles P-C4'-P energy: -10.940
tors. eta vs tors. theta energy: -2.353
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 437
Temperature: 1.350000
Total energy: -103.316462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.316462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.316462 (E_RNA)
where:
Base-Base interactions energy: -47.644
where: short stacking energy: -34.132
Base-Backbone interact. energy: -0.154
local terms energy: -55.517594
where:
bonds (distance) C4'-P energy: -13.440
bonds (distance) P-C4' energy: -16.968
flat angles C4'-P-C4' energy: -13.902
flat angles P-C4'-P energy: -10.249
tors. eta vs tors. theta energy: -0.960
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 438
Temperature: 0.900000
Total energy: -347.081424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.081424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.081424 (E_RNA)
where:
Base-Base interactions energy: -247.177
where: short stacking energy: -93.994
Base-Backbone interact. energy: -0.213
local terms energy: -99.691632
where:
bonds (distance) C4'-P energy: -23.017
bonds (distance) P-C4' energy: -22.836
flat angles C4'-P-C4' energy: -21.098
flat angles P-C4'-P energy: -12.426
tors. eta vs tors. theta energy: -20.315
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 438
Temperature: 0.950000
Total energy: -326.509886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.509886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.509886 (E_RNA)
where:
Base-Base interactions energy: -226.421
where: short stacking energy: -97.853
Base-Backbone interact. energy: -0.731
local terms energy: -99.357109
where:
bonds (distance) C4'-P energy: -21.894
bonds (distance) P-C4' energy: -20.749
flat angles C4'-P-C4' energy: -17.780
flat angles P-C4'-P energy: -14.262
tors. eta vs tors. theta energy: -24.671
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 438
Temperature: 1.000000
Total energy: -341.371693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.371693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.371693 (E_RNA)
where:
Base-Base interactions energy: -242.803
where: short stacking energy: -93.913
Base-Backbone interact. energy: -0.298
local terms energy: -98.270916
where:
bonds (distance) C4'-P energy: -17.650
bonds (distance) P-C4' energy: -17.182
flat angles C4'-P-C4' energy: -21.741
flat angles P-C4'-P energy: -16.315
tors. eta vs tors. theta energy: -25.383
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 438
Temperature: 1.050000
Total energy: -298.885635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.885635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.885635 (E_RNA)
where:
Base-Base interactions energy: -210.185
where: short stacking energy: -93.555
Base-Backbone interact. energy: -0.173
local terms energy: -88.527708
where:
bonds (distance) C4'-P energy: -16.477
bonds (distance) P-C4' energy: -17.618
flat angles C4'-P-C4' energy: -20.732
flat angles P-C4'-P energy: -9.795
tors. eta vs tors. theta energy: -23.905
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 438
Temperature: 1.100000
Total energy: -251.850109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.850109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.850109 (E_RNA)
where:
Base-Base interactions energy: -170.564
where: short stacking energy: -80.811
Base-Backbone interact. energy: -0.044
local terms energy: -81.242399
where:
bonds (distance) C4'-P energy: -18.253
bonds (distance) P-C4' energy: -20.140
flat angles C4'-P-C4' energy: -17.180
flat angles P-C4'-P energy: -8.049
tors. eta vs tors. theta energy: -17.620
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 438
Temperature: 1.150000
Total energy: -251.998097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.998097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.998097 (E_RNA)
where:
Base-Base interactions energy: -163.369
where: short stacking energy: -76.897
Base-Backbone interact. energy: -0.392
local terms energy: -88.236711
where:
bonds (distance) C4'-P energy: -19.513
bonds (distance) P-C4' energy: -19.636
flat angles C4'-P-C4' energy: -15.884
flat angles P-C4'-P energy: -11.871
tors. eta vs tors. theta energy: -21.332
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 438
Temperature: 1.200000
Total energy: -238.686861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.686861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.686861 (E_RNA)
where:
Base-Base interactions energy: -160.146
where: short stacking energy: -70.596
Base-Backbone interact. energy: -0.402
local terms energy: -78.139615
where:
bonds (distance) C4'-P energy: -12.113
bonds (distance) P-C4' energy: -19.561
flat angles C4'-P-C4' energy: -19.021
flat angles P-C4'-P energy: -9.393
tors. eta vs tors. theta energy: -18.052
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 438
Temperature: 1.250000
Total energy: -209.906017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.906017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.906017 (E_RNA)
where:
Base-Base interactions energy: -128.346
where: short stacking energy: -65.828
Base-Backbone interact. energy: -0.035
local terms energy: -81.524822
where:
bonds (distance) C4'-P energy: -22.357
bonds (distance) P-C4' energy: -13.744
flat angles C4'-P-C4' energy: -17.222
flat angles P-C4'-P energy: -13.303
tors. eta vs tors. theta energy: -14.899
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 438
Temperature: 1.300000
Total energy: -105.672974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.672974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.672974 (E_RNA)
where:
Base-Base interactions energy: -42.599
where: short stacking energy: -36.824
Base-Backbone interact. energy: -0.185
local terms energy: -62.889021
where:
bonds (distance) C4'-P energy: -13.713
bonds (distance) P-C4' energy: -20.103
flat angles C4'-P-C4' energy: -15.861
flat angles P-C4'-P energy: -9.255
tors. eta vs tors. theta energy: -3.957
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 438
Temperature: 1.350000
Total energy: -96.793870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.793870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.793870 (E_RNA)
where:
Base-Base interactions energy: -27.670
where: short stacking energy: -24.237
Base-Backbone interact. energy: -0.546
local terms energy: -68.577306
where:
bonds (distance) C4'-P energy: -15.762
bonds (distance) P-C4' energy: -15.434
flat angles C4'-P-C4' energy: -16.400
flat angles P-C4'-P energy: -16.430
tors. eta vs tors. theta energy: -4.552
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 439
Temperature: 0.900000
Total energy: -342.241118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.241118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.241118 (E_RNA)
where:
Base-Base interactions energy: -246.161
where: short stacking energy: -96.128
Base-Backbone interact. energy: -1.242
local terms energy: -94.838737
where:
bonds (distance) C4'-P energy: -22.348
bonds (distance) P-C4' energy: -15.677
flat angles C4'-P-C4' energy: -19.617
flat angles P-C4'-P energy: -10.252
tors. eta vs tors. theta energy: -26.945
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 439
Temperature: 0.950000
Total energy: -334.090534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.090534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.090534 (E_RNA)
where:
Base-Base interactions energy: -232.946
where: short stacking energy: -85.421
Base-Backbone interact. energy: -0.360
local terms energy: -100.784556
where:
bonds (distance) C4'-P energy: -19.205
bonds (distance) P-C4' energy: -20.195
flat angles C4'-P-C4' energy: -23.970
flat angles P-C4'-P energy: -15.269
tors. eta vs tors. theta energy: -22.146
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 439
Temperature: 1.000000
Total energy: -326.341403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.341403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.341403 (E_RNA)
where:
Base-Base interactions energy: -236.622
where: short stacking energy: -94.214
Base-Backbone interact. energy: -0.129
local terms energy: -89.589924
where:
bonds (distance) C4'-P energy: -17.134
bonds (distance) P-C4' energy: -20.682
flat angles C4'-P-C4' energy: -16.385
flat angles P-C4'-P energy: -11.605
tors. eta vs tors. theta energy: -23.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 439
Temperature: 1.050000
Total energy: -292.004413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.004413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.004413 (E_RNA)
where:
Base-Base interactions energy: -205.148
where: short stacking energy: -86.214
Base-Backbone interact. energy: -0.910
local terms energy: -85.946742
where:
bonds (distance) C4'-P energy: -14.392
bonds (distance) P-C4' energy: -19.768
flat angles C4'-P-C4' energy: -20.806
flat angles P-C4'-P energy: -9.618
tors. eta vs tors. theta energy: -21.363
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 439
Temperature: 1.100000
Total energy: -252.182810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.182810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.182810 (E_RNA)
where:
Base-Base interactions energy: -167.589
where: short stacking energy: -68.975
Base-Backbone interact. energy: -0.584
local terms energy: -84.009872
where:
bonds (distance) C4'-P energy: -16.478
bonds (distance) P-C4' energy: -18.468
flat angles C4'-P-C4' energy: -20.153
flat angles P-C4'-P energy: -15.523
tors. eta vs tors. theta energy: -13.388
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 439
Temperature: 1.150000
Total energy: -241.277028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.277028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.277028 (E_RNA)
where:
Base-Base interactions energy: -152.851
where: short stacking energy: -84.592
Base-Backbone interact. energy: -0.011
local terms energy: -88.414882
where:
bonds (distance) C4'-P energy: -15.335
bonds (distance) P-C4' energy: -22.053
flat angles C4'-P-C4' energy: -20.634
flat angles P-C4'-P energy: -6.011
tors. eta vs tors. theta energy: -24.381
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 439
Temperature: 1.200000
Total energy: -231.039318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.039318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.039318 (E_RNA)
where:
Base-Base interactions energy: -153.079
where: short stacking energy: -67.906
Base-Backbone interact. energy: -0.601
local terms energy: -77.359033
where:
bonds (distance) C4'-P energy: -16.284
bonds (distance) P-C4' energy: -15.324
flat angles C4'-P-C4' energy: -21.609
flat angles P-C4'-P energy: -11.064
tors. eta vs tors. theta energy: -13.079
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 439
Temperature: 1.250000
Total energy: -194.004287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.004287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.004287 (E_RNA)
where:
Base-Base interactions energy: -122.092
where: short stacking energy: -58.781
Base-Backbone interact. energy: -0.104
local terms energy: -71.808742
where:
bonds (distance) C4'-P energy: -21.271
bonds (distance) P-C4' energy: -17.159
flat angles C4'-P-C4' energy: -13.001
flat angles P-C4'-P energy: -8.804
tors. eta vs tors. theta energy: -11.573
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 439
Temperature: 1.300000
Total energy: -110.919097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.919097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.919097 (E_RNA)
where:
Base-Base interactions energy: -44.694
where: short stacking energy: -31.171
Base-Backbone interact. energy: -0.565
local terms energy: -65.659624
where:
bonds (distance) C4'-P energy: -19.161
bonds (distance) P-C4' energy: -14.447
flat angles C4'-P-C4' energy: -13.675
flat angles P-C4'-P energy: -11.866
tors. eta vs tors. theta energy: -6.511
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 439
Temperature: 1.350000
Total energy: -111.374021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.374021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.374021 (E_RNA)
where:
Base-Base interactions energy: -48.285
where: short stacking energy: -48.285
Base-Backbone interact. energy: -0.159
local terms energy: -62.929454
where:
bonds (distance) C4'-P energy: -15.219
bonds (distance) P-C4' energy: -18.499
flat angles C4'-P-C4' energy: -18.417
flat angles P-C4'-P energy: -8.446
tors. eta vs tors. theta energy: -2.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 440
Temperature: 0.900000
Total energy: -351.204654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.204654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.204654 (E_RNA)
where:
Base-Base interactions energy: -250.068
where: short stacking energy: -100.077
Base-Backbone interact. energy: -0.268
local terms energy: -100.868716
where:
bonds (distance) C4'-P energy: -19.835
bonds (distance) P-C4' energy: -22.620
flat angles C4'-P-C4' energy: -18.418
flat angles P-C4'-P energy: -14.763
tors. eta vs tors. theta energy: -25.232
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 440
Temperature: 0.950000
Total energy: -334.258491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.258491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.258491 (E_RNA)
where:
Base-Base interactions energy: -237.087
where: short stacking energy: -101.903
Base-Backbone interact. energy: -0.496
local terms energy: -96.676000
where:
bonds (distance) C4'-P energy: -19.969
bonds (distance) P-C4' energy: -18.972
flat angles C4'-P-C4' energy: -20.332
flat angles P-C4'-P energy: -12.073
tors. eta vs tors. theta energy: -25.330
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 440
Temperature: 1.000000
Total energy: -298.163153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.163153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.163153 (E_RNA)
where:
Base-Base interactions energy: -207.468
where: short stacking energy: -76.492
Base-Backbone interact. energy: -1.174
local terms energy: -89.520634
where:
bonds (distance) C4'-P energy: -20.097
bonds (distance) P-C4' energy: -16.319
flat angles C4'-P-C4' energy: -20.574
flat angles P-C4'-P energy: -12.268
tors. eta vs tors. theta energy: -20.263
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 440
Temperature: 1.050000
Total energy: -314.689168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.689168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.689168 (E_RNA)
where:
Base-Base interactions energy: -224.010
where: short stacking energy: -91.340
Base-Backbone interact. energy: -0.632
local terms energy: -90.046981
where:
bonds (distance) C4'-P energy: -13.074
bonds (distance) P-C4' energy: -21.236
flat angles C4'-P-C4' energy: -17.050
flat angles P-C4'-P energy: -15.353
tors. eta vs tors. theta energy: -23.334
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 440
Temperature: 1.100000
Total energy: -253.222795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.222795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.222795 (E_RNA)
where:
Base-Base interactions energy: -177.039
where: short stacking energy: -84.825
Base-Backbone interact. energy: -0.036
local terms energy: -76.147632
where:
bonds (distance) C4'-P energy: -12.658
bonds (distance) P-C4' energy: -20.390
flat angles C4'-P-C4' energy: -16.967
flat angles P-C4'-P energy: -5.531
tors. eta vs tors. theta energy: -20.601
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 440
Temperature: 1.150000
Total energy: -244.224052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.224052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.224052 (E_RNA)
where:
Base-Base interactions energy: -174.405
where: short stacking energy: -76.696
Base-Backbone interact. energy: -0.812
local terms energy: -69.006276
where:
bonds (distance) C4'-P energy: -13.272
bonds (distance) P-C4' energy: -11.911
flat angles C4'-P-C4' energy: -16.430
flat angles P-C4'-P energy: -8.590
tors. eta vs tors. theta energy: -18.803
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 440
Temperature: 1.200000
Total energy: -232.296199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.296199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.296199 (E_RNA)
where:
Base-Base interactions energy: -150.495
where: short stacking energy: -59.351
Base-Backbone interact. energy: -0.240
local terms energy: -81.560777
where:
bonds (distance) C4'-P energy: -17.086
bonds (distance) P-C4' energy: -20.326
flat angles C4'-P-C4' energy: -20.904
flat angles P-C4'-P energy: -8.798
tors. eta vs tors. theta energy: -14.446
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 440
Temperature: 1.250000
Total energy: -187.766973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.766973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.766973 (E_RNA)
where:
Base-Base interactions energy: -115.495
where: short stacking energy: -61.539
Base-Backbone interact. energy: -0.334
local terms energy: -71.938148
where:
bonds (distance) C4'-P energy: -13.374
bonds (distance) P-C4' energy: -15.365
flat angles C4'-P-C4' energy: -19.208
flat angles P-C4'-P energy: -13.723
tors. eta vs tors. theta energy: -10.268
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 440
Temperature: 1.300000
Total energy: -105.046613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.046613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.046613 (E_RNA)
where:
Base-Base interactions energy: -43.741
where: short stacking energy: -29.515
Base-Backbone interact. energy: -0.218
local terms energy: -61.088078
where:
bonds (distance) C4'-P energy: -12.455
bonds (distance) P-C4' energy: -19.841
flat angles C4'-P-C4' energy: -12.048
flat angles P-C4'-P energy: -13.123
tors. eta vs tors. theta energy: -3.621
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 440
Temperature: 1.350000
Total energy: -99.783125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.783125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.783125 (E_RNA)
where:
Base-Base interactions energy: -42.367
where: short stacking energy: -36.899
Base-Backbone interact. energy: 0.843
local terms energy: -58.259306
where:
bonds (distance) C4'-P energy: -15.937
bonds (distance) P-C4' energy: -19.756
flat angles C4'-P-C4' energy: -17.103
flat angles P-C4'-P energy: -3.597
tors. eta vs tors. theta energy: -1.866
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 441
Temperature: 0.900000
Total energy: -350.805551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.805551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.805551 (E_RNA)
where:
Base-Base interactions energy: -252.103
where: short stacking energy: -102.689
Base-Backbone interact. energy: -0.739
local terms energy: -97.963614
where:
bonds (distance) C4'-P energy: -18.507
bonds (distance) P-C4' energy: -19.299
flat angles C4'-P-C4' energy: -21.945
flat angles P-C4'-P energy: -13.194
tors. eta vs tors. theta energy: -25.019
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 441
Temperature: 0.950000
Total energy: -334.715497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.715497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.715497 (E_RNA)
where:
Base-Base interactions energy: -236.773
where: short stacking energy: -96.836
Base-Backbone interact. energy: -0.952
local terms energy: -96.990623
where:
bonds (distance) C4'-P energy: -19.017
bonds (distance) P-C4' energy: -20.963
flat angles C4'-P-C4' energy: -19.265
flat angles P-C4'-P energy: -13.751
tors. eta vs tors. theta energy: -23.995
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 441
Temperature: 1.000000
Total energy: -298.390985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.390985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.390985 (E_RNA)
where:
Base-Base interactions energy: -203.727
where: short stacking energy: -88.793
Base-Backbone interact. energy: 0.708
local terms energy: -95.372313
where:
bonds (distance) C4'-P energy: -18.950
bonds (distance) P-C4' energy: -20.687
flat angles C4'-P-C4' energy: -20.221
flat angles P-C4'-P energy: -13.494
tors. eta vs tors. theta energy: -22.020
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 441
Temperature: 1.050000
Total energy: -314.305278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.305278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.305278 (E_RNA)
where:
Base-Base interactions energy: -224.855
where: short stacking energy: -97.600
Base-Backbone interact. energy: -0.820
local terms energy: -88.630532
where:
bonds (distance) C4'-P energy: -12.278
bonds (distance) P-C4' energy: -18.572
flat angles C4'-P-C4' energy: -21.362
flat angles P-C4'-P energy: -11.927
tors. eta vs tors. theta energy: -24.490
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 441
Temperature: 1.100000
Total energy: -273.861198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.861198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.861198 (E_RNA)
where:
Base-Base interactions energy: -182.096
where: short stacking energy: -69.624
Base-Backbone interact. energy: -0.881
local terms energy: -90.883527
where:
bonds (distance) C4'-P energy: -16.916
bonds (distance) P-C4' energy: -21.940
flat angles C4'-P-C4' energy: -18.512
flat angles P-C4'-P energy: -10.607
tors. eta vs tors. theta energy: -22.910
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 441
Temperature: 1.150000
Total energy: -236.519678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.519678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.519678 (E_RNA)
where:
Base-Base interactions energy: -164.835
where: short stacking energy: -62.926
Base-Backbone interact. energy: -0.620
local terms energy: -71.065284
where:
bonds (distance) C4'-P energy: -15.005
bonds (distance) P-C4' energy: -21.979
flat angles C4'-P-C4' energy: -17.699
flat angles P-C4'-P energy: -10.763
tors. eta vs tors. theta energy: -5.620
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 441
Temperature: 1.200000
Total energy: -231.140967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.140967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.140967 (E_RNA)
where:
Base-Base interactions energy: -150.482
where: short stacking energy: -66.289
Base-Backbone interact. energy: -0.161
local terms energy: -80.498043
where:
bonds (distance) C4'-P energy: -15.655
bonds (distance) P-C4' energy: -19.918
flat angles C4'-P-C4' energy: -20.563
flat angles P-C4'-P energy: -10.854
tors. eta vs tors. theta energy: -13.508
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 441
Temperature: 1.250000
Total energy: -194.326365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.326365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.326365 (E_RNA)
where:
Base-Base interactions energy: -122.762
where: short stacking energy: -68.801
Base-Backbone interact. energy: -0.852
local terms energy: -70.713019
where:
bonds (distance) C4'-P energy: -17.190
bonds (distance) P-C4' energy: -15.118
flat angles C4'-P-C4' energy: -14.670
flat angles P-C4'-P energy: -7.912
tors. eta vs tors. theta energy: -15.822
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 441
Temperature: 1.300000
Total energy: -113.081241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.081241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.081241 (E_RNA)
where:
Base-Base interactions energy: -51.811
where: short stacking energy: -24.585
Base-Backbone interact. energy: -0.651
local terms energy: -60.618966
where:
bonds (distance) C4'-P energy: -20.578
bonds (distance) P-C4' energy: -19.193
flat angles C4'-P-C4' energy: -15.251
flat angles P-C4'-P energy: -10.847
tors. eta vs tors. theta energy: 5.251
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 441
Temperature: 1.350000
Total energy: -97.167625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.167625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.167625 (E_RNA)
where:
Base-Base interactions energy: -26.190
where: short stacking energy: -26.590
Base-Backbone interact. energy: -0.503
local terms energy: -70.474592
where:
bonds (distance) C4'-P energy: -21.458
bonds (distance) P-C4' energy: -17.140
flat angles C4'-P-C4' energy: -20.200
flat angles P-C4'-P energy: -12.986
tors. eta vs tors. theta energy: 1.310
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 442
Temperature: 0.900000
Total energy: -345.452005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.452005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.452005 (E_RNA)
where:
Base-Base interactions energy: -236.261
where: short stacking energy: -103.850
Base-Backbone interact. energy: -1.059
local terms energy: -108.132659
where:
bonds (distance) C4'-P energy: -20.581
bonds (distance) P-C4' energy: -23.352
flat angles C4'-P-C4' energy: -23.442
flat angles P-C4'-P energy: -14.023
tors. eta vs tors. theta energy: -26.734
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 442
Temperature: 0.950000
Total energy: -334.586140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.586140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.586140 (E_RNA)
where:
Base-Base interactions energy: -241.723
where: short stacking energy: -94.984
Base-Backbone interact. energy: -1.001
local terms energy: -91.861714
where:
bonds (distance) C4'-P energy: -18.086
bonds (distance) P-C4' energy: -19.237
flat angles C4'-P-C4' energy: -18.829
flat angles P-C4'-P energy: -12.964
tors. eta vs tors. theta energy: -22.747
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 442
Temperature: 1.000000
Total energy: -327.133815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.133815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.133815 (E_RNA)
where:
Base-Base interactions energy: -232.798
where: short stacking energy: -93.789
Base-Backbone interact. energy: -0.623
local terms energy: -93.713356
where:
bonds (distance) C4'-P energy: -12.049
bonds (distance) P-C4' energy: -19.120
flat angles C4'-P-C4' energy: -23.392
flat angles P-C4'-P energy: -14.300
tors. eta vs tors. theta energy: -24.852
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 442
Temperature: 1.050000
Total energy: -277.143246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.143246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.143246 (E_RNA)
where:
Base-Base interactions energy: -196.924
where: short stacking energy: -67.909
Base-Backbone interact. energy: 0.549
local terms energy: -80.768668
where:
bonds (distance) C4'-P energy: -20.150
bonds (distance) P-C4' energy: -17.366
flat angles C4'-P-C4' energy: -18.391
flat angles P-C4'-P energy: -11.506
tors. eta vs tors. theta energy: -13.355
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 442
Temperature: 1.100000
Total energy: -266.765581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.765581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.765581 (E_RNA)
where:
Base-Base interactions energy: -181.221
where: short stacking energy: -76.242
Base-Backbone interact. energy: -0.626
local terms energy: -84.919024
where:
bonds (distance) C4'-P energy: -18.791
bonds (distance) P-C4' energy: -17.203
flat angles C4'-P-C4' energy: -17.957
flat angles P-C4'-P energy: -12.342
tors. eta vs tors. theta energy: -18.625
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 442
Temperature: 1.150000
Total energy: -247.749269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.749269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.749269 (E_RNA)
where:
Base-Base interactions energy: -164.133
where: short stacking energy: -72.615
Base-Backbone interact. energy: -0.339
local terms energy: -83.277939
where:
bonds (distance) C4'-P energy: -18.734
bonds (distance) P-C4' energy: -20.220
flat angles C4'-P-C4' energy: -16.533
flat angles P-C4'-P energy: -14.176
tors. eta vs tors. theta energy: -13.615
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 442
Temperature: 1.200000
Total energy: -242.317542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.317542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.317542 (E_RNA)
where:
Base-Base interactions energy: -163.371
where: short stacking energy: -62.843
Base-Backbone interact. energy: -0.234
local terms energy: -78.712307
where:
bonds (distance) C4'-P energy: -14.761
bonds (distance) P-C4' energy: -20.058
flat angles C4'-P-C4' energy: -20.172
flat angles P-C4'-P energy: -14.828
tors. eta vs tors. theta energy: -8.893
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 442
Temperature: 1.250000
Total energy: -206.116791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.116791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.116791 (E_RNA)
where:
Base-Base interactions energy: -131.580
where: short stacking energy: -69.350
Base-Backbone interact. energy: -0.165
local terms energy: -74.372694
where:
bonds (distance) C4'-P energy: -17.965
bonds (distance) P-C4' energy: -13.779
flat angles C4'-P-C4' energy: -20.564
flat angles P-C4'-P energy: -8.095
tors. eta vs tors. theta energy: -13.970
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 442
Temperature: 1.300000
Total energy: -135.286394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.286394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.286394 (E_RNA)
where:
Base-Base interactions energy: -69.058
where: short stacking energy: -45.531
Base-Backbone interact. energy: 0.450
local terms energy: -66.677844
where:
bonds (distance) C4'-P energy: -15.150
bonds (distance) P-C4' energy: -21.387
flat angles C4'-P-C4' energy: -12.298
flat angles P-C4'-P energy: -12.897
tors. eta vs tors. theta energy: -4.945
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 442
Temperature: 1.350000
Total energy: -104.826433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.826433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.826433 (E_RNA)
where:
Base-Base interactions energy: -39.870
where: short stacking energy: -39.870
Base-Backbone interact. energy: -0.136
local terms energy: -64.821197
where:
bonds (distance) C4'-P energy: -16.550
bonds (distance) P-C4' energy: -15.732
flat angles C4'-P-C4' energy: -16.636
flat angles P-C4'-P energy: -14.017
tors. eta vs tors. theta energy: -1.887
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 443
Temperature: 0.900000
Total energy: -344.895090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.895090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.895090 (E_RNA)
where:
Base-Base interactions energy: -248.486
where: short stacking energy: -97.656
Base-Backbone interact. energy: -0.688
local terms energy: -95.721439
where:
bonds (distance) C4'-P energy: -17.773
bonds (distance) P-C4' energy: -20.361
flat angles C4'-P-C4' energy: -19.803
flat angles P-C4'-P energy: -16.236
tors. eta vs tors. theta energy: -21.549
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 443
Temperature: 0.950000
Total energy: -334.626957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.626957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.626957 (E_RNA)
where:
Base-Base interactions energy: -239.569
where: short stacking energy: -99.567
Base-Backbone interact. energy: -0.552
local terms energy: -94.505715
where:
bonds (distance) C4'-P energy: -19.538
bonds (distance) P-C4' energy: -18.590
flat angles C4'-P-C4' energy: -21.932
flat angles P-C4'-P energy: -10.266
tors. eta vs tors. theta energy: -24.179
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 443
Temperature: 1.000000
Total energy: -331.904878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.904878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.904878 (E_RNA)
where:
Base-Base interactions energy: -241.113
where: short stacking energy: -101.538
Base-Backbone interact. energy: -0.319
local terms energy: -90.472719
where:
bonds (distance) C4'-P energy: -16.077
bonds (distance) P-C4' energy: -18.695
flat angles C4'-P-C4' energy: -19.268
flat angles P-C4'-P energy: -11.405
tors. eta vs tors. theta energy: -25.027
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 443
Temperature: 1.050000
Total energy: -282.848830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.848830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.848830 (E_RNA)
where:
Base-Base interactions energy: -186.182
where: short stacking energy: -88.417
Base-Backbone interact. energy: -0.125
local terms energy: -96.542753
where:
bonds (distance) C4'-P energy: -18.228
bonds (distance) P-C4' energy: -18.720
flat angles C4'-P-C4' energy: -22.096
flat angles P-C4'-P energy: -12.918
tors. eta vs tors. theta energy: -24.580
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 443
Temperature: 1.100000
Total energy: -269.335805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.335805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.335805 (E_RNA)
where:
Base-Base interactions energy: -192.100
where: short stacking energy: -73.049
Base-Backbone interact. energy: -0.238
local terms energy: -76.997386
where:
bonds (distance) C4'-P energy: -10.733
bonds (distance) P-C4' energy: -15.044
flat angles C4'-P-C4' energy: -22.024
flat angles P-C4'-P energy: -12.206
tors. eta vs tors. theta energy: -16.991
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 443
Temperature: 1.150000
Total energy: -259.143970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.143970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.143970 (E_RNA)
where:
Base-Base interactions energy: -176.531
where: short stacking energy: -81.217
Base-Backbone interact. energy: -0.047
local terms energy: -82.565409
where:
bonds (distance) C4'-P energy: -15.393
bonds (distance) P-C4' energy: -21.609
flat angles C4'-P-C4' energy: -14.591
flat angles P-C4'-P energy: -13.806
tors. eta vs tors. theta energy: -17.166
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 443
Temperature: 1.200000
Total energy: -228.919485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.919485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.919485 (E_RNA)
where:
Base-Base interactions energy: -153.753
where: short stacking energy: -55.031
Base-Backbone interact. energy: -0.286
local terms energy: -74.880268
where:
bonds (distance) C4'-P energy: -17.660
bonds (distance) P-C4' energy: -21.065
flat angles C4'-P-C4' energy: -16.293
flat angles P-C4'-P energy: -13.834
tors. eta vs tors. theta energy: -6.028
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 443
Temperature: 1.250000
Total energy: -201.536917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.536917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.536917 (E_RNA)
where:
Base-Base interactions energy: -132.478
where: short stacking energy: -72.281
Base-Backbone interact. energy: 0.500
local terms energy: -69.558926
where:
bonds (distance) C4'-P energy: -14.006
bonds (distance) P-C4' energy: -16.537
flat angles C4'-P-C4' energy: -14.894
flat angles P-C4'-P energy: -13.105
tors. eta vs tors. theta energy: -11.018
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 443
Temperature: 1.300000
Total energy: -146.920796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.920796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.920796 (E_RNA)
where:
Base-Base interactions energy: -82.339
where: short stacking energy: -52.646
Base-Backbone interact. energy: -1.266
local terms energy: -63.315348
where:
bonds (distance) C4'-P energy: -16.491
bonds (distance) P-C4' energy: -21.282
flat angles C4'-P-C4' energy: -14.613
flat angles P-C4'-P energy: -3.698
tors. eta vs tors. theta energy: -7.232
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 443
Temperature: 1.350000
Total energy: -121.088273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.088273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.088273 (E_RNA)
where:
Base-Base interactions energy: -55.357
where: short stacking energy: -48.128
Base-Backbone interact. energy: 1.307
local terms energy: -67.037524
where:
bonds (distance) C4'-P energy: -16.540
bonds (distance) P-C4' energy: -14.017
flat angles C4'-P-C4' energy: -13.376
flat angles P-C4'-P energy: -12.593
tors. eta vs tors. theta energy: -10.511
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 444
Temperature: 0.900000
Total energy: -348.892670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.892670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.892670 (E_RNA)
where:
Base-Base interactions energy: -241.264
where: short stacking energy: -97.951
Base-Backbone interact. energy: -0.279
local terms energy: -107.349007
where:
bonds (distance) C4'-P energy: -22.439
bonds (distance) P-C4' energy: -20.655
flat angles C4'-P-C4' energy: -21.473
flat angles P-C4'-P energy: -16.421
tors. eta vs tors. theta energy: -26.362
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 444
Temperature: 0.950000
Total energy: -332.757558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.757558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.757558 (E_RNA)
where:
Base-Base interactions energy: -238.162
where: short stacking energy: -100.904
Base-Backbone interact. energy: -0.598
local terms energy: -93.997655
where:
bonds (distance) C4'-P energy: -19.641
bonds (distance) P-C4' energy: -16.962
flat angles C4'-P-C4' energy: -18.876
flat angles P-C4'-P energy: -13.119
tors. eta vs tors. theta energy: -25.400
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 444
Temperature: 1.000000
Total energy: -336.849283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.849283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.849283 (E_RNA)
where:
Base-Base interactions energy: -239.611
where: short stacking energy: -96.236
Base-Backbone interact. energy: -1.256
local terms energy: -95.982594
where:
bonds (distance) C4'-P energy: -16.515
bonds (distance) P-C4' energy: -19.397
flat angles C4'-P-C4' energy: -18.513
flat angles P-C4'-P energy: -15.756
tors. eta vs tors. theta energy: -25.801
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 444
Temperature: 1.050000
Total energy: -278.438682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.438682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.438682 (E_RNA)
where:
Base-Base interactions energy: -187.164
where: short stacking energy: -86.468
Base-Backbone interact. energy: -0.108
local terms energy: -91.166584
where:
bonds (distance) C4'-P energy: -15.974
bonds (distance) P-C4' energy: -19.433
flat angles C4'-P-C4' energy: -21.220
flat angles P-C4'-P energy: -14.886
tors. eta vs tors. theta energy: -19.655
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 444
Temperature: 1.100000
Total energy: -286.461130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.461130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.461130 (E_RNA)
where:
Base-Base interactions energy: -200.735
where: short stacking energy: -80.700
Base-Backbone interact. energy: -1.314
local terms energy: -84.411999
where:
bonds (distance) C4'-P energy: -13.334
bonds (distance) P-C4' energy: -20.385
flat angles C4'-P-C4' energy: -20.955
flat angles P-C4'-P energy: -5.257
tors. eta vs tors. theta energy: -24.481
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 444
Temperature: 1.150000
Total energy: -243.182142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.182142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.182142 (E_RNA)
where:
Base-Base interactions energy: -157.258
where: short stacking energy: -57.947
Base-Backbone interact. energy: -0.151
local terms energy: -85.773034
where:
bonds (distance) C4'-P energy: -17.537
bonds (distance) P-C4' energy: -20.769
flat angles C4'-P-C4' energy: -23.328
flat angles P-C4'-P energy: -13.876
tors. eta vs tors. theta energy: -10.263
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 444
Temperature: 1.200000
Total energy: -244.177121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.177121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.177121 (E_RNA)
where:
Base-Base interactions energy: -158.638
where: short stacking energy: -69.574
Base-Backbone interact. energy: -0.005
local terms energy: -85.534226
where:
bonds (distance) C4'-P energy: -19.935
bonds (distance) P-C4' energy: -18.556
flat angles C4'-P-C4' energy: -17.230
flat angles P-C4'-P energy: -11.444
tors. eta vs tors. theta energy: -18.369
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 444
Temperature: 1.250000
Total energy: -196.282267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.282267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.282267 (E_RNA)
where:
Base-Base interactions energy: -111.461
where: short stacking energy: -71.452
Base-Backbone interact. energy: -0.007
local terms energy: -84.814602
where:
bonds (distance) C4'-P energy: -13.960
bonds (distance) P-C4' energy: -17.676
flat angles C4'-P-C4' energy: -21.835
flat angles P-C4'-P energy: -13.968
tors. eta vs tors. theta energy: -17.376
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 444
Temperature: 1.300000
Total energy: -113.775219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.775219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.775219 (E_RNA)
where:
Base-Base interactions energy: -52.899
where: short stacking energy: -46.057
Base-Backbone interact. energy: -0.404
local terms energy: -60.471966
where:
bonds (distance) C4'-P energy: -16.001
bonds (distance) P-C4' energy: -15.777
flat angles C4'-P-C4' energy: -18.081
flat angles P-C4'-P energy: -8.778
tors. eta vs tors. theta energy: -1.835
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 444
Temperature: 1.350000
Total energy: -97.499332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.499332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.499332 (E_RNA)
where:
Base-Base interactions energy: -41.598
where: short stacking energy: -38.276
Base-Backbone interact. energy: 3.265
local terms energy: -59.166351
where:
bonds (distance) C4'-P energy: -11.344
bonds (distance) P-C4' energy: -16.283
flat angles C4'-P-C4' energy: -17.249
flat angles P-C4'-P energy: -13.275
tors. eta vs tors. theta energy: -1.015
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 445
Temperature: 0.900000
Total energy: -343.211610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.211610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.211610 (E_RNA)
where:
Base-Base interactions energy: -242.311
where: short stacking energy: -95.918
Base-Backbone interact. energy: -0.204
local terms energy: -100.697115
where:
bonds (distance) C4'-P energy: -20.688
bonds (distance) P-C4' energy: -21.588
flat angles C4'-P-C4' energy: -19.435
flat angles P-C4'-P energy: -15.288
tors. eta vs tors. theta energy: -23.698
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 445
Temperature: 0.950000
Total energy: -336.411531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.411531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.411531 (E_RNA)
where:
Base-Base interactions energy: -235.096
where: short stacking energy: -93.311
Base-Backbone interact. energy: -0.687
local terms energy: -100.627957
where:
bonds (distance) C4'-P energy: -15.328
bonds (distance) P-C4' energy: -23.280
flat angles C4'-P-C4' energy: -19.709
flat angles P-C4'-P energy: -17.093
tors. eta vs tors. theta energy: -25.218
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 445
Temperature: 1.000000
Total energy: -323.798931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.798931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.798931 (E_RNA)
where:
Base-Base interactions energy: -223.102
where: short stacking energy: -96.275
Base-Backbone interact. energy: 0.314
local terms energy: -101.010445
where:
bonds (distance) C4'-P energy: -19.583
bonds (distance) P-C4' energy: -17.869
flat angles C4'-P-C4' energy: -21.724
flat angles P-C4'-P energy: -13.965
tors. eta vs tors. theta energy: -27.869
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 445
Temperature: 1.050000
Total energy: -290.154287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.154287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.154287 (E_RNA)
where:
Base-Base interactions energy: -201.062
where: short stacking energy: -94.296
Base-Backbone interact. energy: -0.113
local terms energy: -88.978684
where:
bonds (distance) C4'-P energy: -17.994
bonds (distance) P-C4' energy: -16.746
flat angles C4'-P-C4' energy: -18.601
flat angles P-C4'-P energy: -11.047
tors. eta vs tors. theta energy: -24.591
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 445
Temperature: 1.100000
Total energy: -274.291989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.291989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.291989 (E_RNA)
where:
Base-Base interactions energy: -183.938
where: short stacking energy: -85.825
Base-Backbone interact. energy: -0.036
local terms energy: -90.317627
where:
bonds (distance) C4'-P energy: -19.160
bonds (distance) P-C4' energy: -19.916
flat angles C4'-P-C4' energy: -20.348
flat angles P-C4'-P energy: -12.513
tors. eta vs tors. theta energy: -18.381
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 445
Temperature: 1.150000
Total energy: -256.201444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.201444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.201444 (E_RNA)
where:
Base-Base interactions energy: -173.177
where: short stacking energy: -81.219
Base-Backbone interact. energy: 0.096
local terms energy: -83.120407
where:
bonds (distance) C4'-P energy: -14.073
bonds (distance) P-C4' energy: -22.277
flat angles C4'-P-C4' energy: -17.875
flat angles P-C4'-P energy: -13.905
tors. eta vs tors. theta energy: -14.989
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 445
Temperature: 1.200000
Total energy: -231.093940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.093940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.093940 (E_RNA)
where:
Base-Base interactions energy: -152.105
where: short stacking energy: -73.904
Base-Backbone interact. energy: -0.194
local terms energy: -78.794587
where:
bonds (distance) C4'-P energy: -18.014
bonds (distance) P-C4' energy: -19.678
flat angles C4'-P-C4' energy: -17.105
flat angles P-C4'-P energy: -10.688
tors. eta vs tors. theta energy: -13.309
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 445
Temperature: 1.250000
Total energy: -201.561080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.561080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.561080 (E_RNA)
where:
Base-Base interactions energy: -124.854
where: short stacking energy: -70.432
Base-Backbone interact. energy: -0.342
local terms energy: -76.365904
where:
bonds (distance) C4'-P energy: -12.914
bonds (distance) P-C4' energy: -17.573
flat angles C4'-P-C4' energy: -14.480
flat angles P-C4'-P energy: -12.927
tors. eta vs tors. theta energy: -18.472
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 445
Temperature: 1.300000
Total energy: -97.093081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.093081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.093081 (E_RNA)
where:
Base-Base interactions energy: -41.627
where: short stacking energy: -17.374
Base-Backbone interact. energy: -1.195
local terms energy: -54.270921
where:
bonds (distance) C4'-P energy: -18.950
bonds (distance) P-C4' energy: -16.299
flat angles C4'-P-C4' energy: -13.439
flat angles P-C4'-P energy: -12.953
tors. eta vs tors. theta energy: 7.370
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 445
Temperature: 1.350000
Total energy: -91.371670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.371670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.371670 (E_RNA)
where:
Base-Base interactions energy: -43.708
where: short stacking energy: -34.860
Base-Backbone interact. energy: 1.391
local terms energy: -49.054684
where:
bonds (distance) C4'-P energy: -18.830
bonds (distance) P-C4' energy: -11.285
flat angles C4'-P-C4' energy: -6.401
flat angles P-C4'-P energy: -11.649
tors. eta vs tors. theta energy: -0.890
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 446
Temperature: 0.900000
Total energy: -348.881903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.881903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.881903 (E_RNA)
where:
Base-Base interactions energy: -253.613
where: short stacking energy: -99.468
Base-Backbone interact. energy: -0.408
local terms energy: -94.861379
where:
bonds (distance) C4'-P energy: -18.602
bonds (distance) P-C4' energy: -17.659
flat angles C4'-P-C4' energy: -21.797
flat angles P-C4'-P energy: -12.908
tors. eta vs tors. theta energy: -23.895
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 446
Temperature: 0.950000
Total energy: -332.062435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.062435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.062435 (E_RNA)
where:
Base-Base interactions energy: -235.116
where: short stacking energy: -88.828
Base-Backbone interact. energy: -0.435
local terms energy: -96.511348
where:
bonds (distance) C4'-P energy: -18.130
bonds (distance) P-C4' energy: -24.026
flat angles C4'-P-C4' energy: -18.924
flat angles P-C4'-P energy: -10.174
tors. eta vs tors. theta energy: -25.256
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 446
Temperature: 1.000000
Total energy: -293.319879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.319879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.319879 (E_RNA)
where:
Base-Base interactions energy: -201.942
where: short stacking energy: -95.791
Base-Backbone interact. energy: -0.086
local terms energy: -91.292028
where:
bonds (distance) C4'-P energy: -18.532
bonds (distance) P-C4' energy: -11.233
flat angles C4'-P-C4' energy: -22.264
flat angles P-C4'-P energy: -13.319
tors. eta vs tors. theta energy: -25.944
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 446
Temperature: 1.050000
Total energy: -318.824363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.824363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.824363 (E_RNA)
where:
Base-Base interactions energy: -215.012
where: short stacking energy: -94.976
Base-Backbone interact. energy: -1.317
local terms energy: -102.496092
where:
bonds (distance) C4'-P energy: -18.657
bonds (distance) P-C4' energy: -22.042
flat angles C4'-P-C4' energy: -20.990
flat angles P-C4'-P energy: -11.357
tors. eta vs tors. theta energy: -29.450
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 446
Temperature: 1.100000
Total energy: -263.102389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.102389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.102389 (E_RNA)
where:
Base-Base interactions energy: -179.211
where: short stacking energy: -84.011
Base-Backbone interact. energy: -0.034
local terms energy: -83.857421
where:
bonds (distance) C4'-P energy: -13.441
bonds (distance) P-C4' energy: -17.779
flat angles C4'-P-C4' energy: -20.780
flat angles P-C4'-P energy: -15.680
tors. eta vs tors. theta energy: -16.177
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 446
Temperature: 1.150000
Total energy: -230.219394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.219394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.219394 (E_RNA)
where:
Base-Base interactions energy: -141.386
where: short stacking energy: -69.462
Base-Backbone interact. energy: -0.601
local terms energy: -88.232614
where:
bonds (distance) C4'-P energy: -18.308
bonds (distance) P-C4' energy: -20.700
flat angles C4'-P-C4' energy: -18.665
flat angles P-C4'-P energy: -13.916
tors. eta vs tors. theta energy: -16.643
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 446
Temperature: 1.200000
Total energy: -209.470652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.470652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.470652 (E_RNA)
where:
Base-Base interactions energy: -129.396
where: short stacking energy: -64.612
Base-Backbone interact. energy: -0.254
local terms energy: -79.821136
where:
bonds (distance) C4'-P energy: -22.250
bonds (distance) P-C4' energy: -19.130
flat angles C4'-P-C4' energy: -15.432
flat angles P-C4'-P energy: -6.506
tors. eta vs tors. theta energy: -16.503
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 446
Temperature: 1.250000
Total energy: -221.431999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.431999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.431999 (E_RNA)
where:
Base-Base interactions energy: -137.632
where: short stacking energy: -72.287
Base-Backbone interact. energy: -0.047
local terms energy: -83.753399
where:
bonds (distance) C4'-P energy: -17.096
bonds (distance) P-C4' energy: -20.606
flat angles C4'-P-C4' energy: -15.944
flat angles P-C4'-P energy: -13.791
tors. eta vs tors. theta energy: -16.316
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 446
Temperature: 1.300000
Total energy: -110.036188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.036188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.036188 (E_RNA)
where:
Base-Base interactions energy: -46.422
where: short stacking energy: -26.787
Base-Backbone interact. energy: -0.355
local terms energy: -63.258929
where:
bonds (distance) C4'-P energy: -20.183
bonds (distance) P-C4' energy: -19.186
flat angles C4'-P-C4' energy: -16.791
flat angles P-C4'-P energy: -7.207
tors. eta vs tors. theta energy: 0.108
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 446
Temperature: 1.350000
Total energy: -101.877919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.877919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.877919 (E_RNA)
where:
Base-Base interactions energy: -41.456
where: short stacking energy: -37.837
Base-Backbone interact. energy: 1.274
local terms energy: -61.696032
where:
bonds (distance) C4'-P energy: -16.133
bonds (distance) P-C4' energy: -16.011
flat angles C4'-P-C4' energy: -17.010
flat angles P-C4'-P energy: -12.189
tors. eta vs tors. theta energy: -0.354
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 447
Temperature: 0.900000
Total energy: -352.711578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.711578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.711578 (E_RNA)
where:
Base-Base interactions energy: -256.543
where: short stacking energy: -106.044
Base-Backbone interact. energy: -1.265
local terms energy: -94.903592
where:
bonds (distance) C4'-P energy: -16.536
bonds (distance) P-C4' energy: -17.679
flat angles C4'-P-C4' energy: -18.075
flat angles P-C4'-P energy: -15.904
tors. eta vs tors. theta energy: -26.711
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 447
Temperature: 0.950000
Total energy: -333.450591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.450591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.450591 (E_RNA)
where:
Base-Base interactions energy: -234.922
where: short stacking energy: -93.840
Base-Backbone interact. energy: -0.473
local terms energy: -98.055322
where:
bonds (distance) C4'-P energy: -21.743
bonds (distance) P-C4' energy: -12.899
flat angles C4'-P-C4' energy: -22.761
flat angles P-C4'-P energy: -15.480
tors. eta vs tors. theta energy: -25.172
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 447
Temperature: 1.000000
Total energy: -294.522712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.522712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.522712 (E_RNA)
where:
Base-Base interactions energy: -200.550
where: short stacking energy: -85.734
Base-Backbone interact. energy: -0.317
local terms energy: -93.655060
where:
bonds (distance) C4'-P energy: -16.017
bonds (distance) P-C4' energy: -21.955
flat angles C4'-P-C4' energy: -20.489
flat angles P-C4'-P energy: -14.144
tors. eta vs tors. theta energy: -21.050
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 447
Temperature: 1.050000
Total energy: -314.513293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.513293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.513293 (E_RNA)
where:
Base-Base interactions energy: -216.167
where: short stacking energy: -86.836
Base-Backbone interact. energy: -0.546
local terms energy: -97.800292
where:
bonds (distance) C4'-P energy: -19.488
bonds (distance) P-C4' energy: -19.606
flat angles C4'-P-C4' energy: -19.997
flat angles P-C4'-P energy: -14.074
tors. eta vs tors. theta energy: -24.636
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 447
Temperature: 1.100000
Total energy: -267.288445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.288445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.288445 (E_RNA)
where:
Base-Base interactions energy: -175.590
where: short stacking energy: -90.479
Base-Backbone interact. energy: 0.793
local terms energy: -92.491680
where:
bonds (distance) C4'-P energy: -21.264
bonds (distance) P-C4' energy: -19.826
flat angles C4'-P-C4' energy: -16.529
flat angles P-C4'-P energy: -16.316
tors. eta vs tors. theta energy: -18.557
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 447
Temperature: 1.150000
Total energy: -203.358200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.358200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.358200 (E_RNA)
where:
Base-Base interactions energy: -117.704
where: short stacking energy: -60.072
Base-Backbone interact. energy: -0.149
local terms energy: -85.506182
where:
bonds (distance) C4'-P energy: -18.490
bonds (distance) P-C4' energy: -20.492
flat angles C4'-P-C4' energy: -17.596
flat angles P-C4'-P energy: -11.614
tors. eta vs tors. theta energy: -17.314
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 447
Temperature: 1.200000
Total energy: -227.247746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.247746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.247746 (E_RNA)
where:
Base-Base interactions energy: -140.885
where: short stacking energy: -72.267
Base-Backbone interact. energy: -0.131
local terms energy: -86.231519
where:
bonds (distance) C4'-P energy: -19.647
bonds (distance) P-C4' energy: -20.204
flat angles C4'-P-C4' energy: -18.072
flat angles P-C4'-P energy: -12.426
tors. eta vs tors. theta energy: -15.882
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 447
Temperature: 1.250000
Total energy: -221.016928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.016928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.016928 (E_RNA)
where:
Base-Base interactions energy: -145.907
where: short stacking energy: -67.769
Base-Backbone interact. energy: -0.335
local terms energy: -74.775298
where:
bonds (distance) C4'-P energy: -15.575
bonds (distance) P-C4' energy: -13.522
flat angles C4'-P-C4' energy: -18.332
flat angles P-C4'-P energy: -15.322
tors. eta vs tors. theta energy: -12.024
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 447
Temperature: 1.300000
Total energy: -106.431371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.431371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.431371 (E_RNA)
where:
Base-Base interactions energy: -40.973
where: short stacking energy: -40.973
Base-Backbone interact. energy: 0.352
local terms energy: -65.810370
where:
bonds (distance) C4'-P energy: -12.939
bonds (distance) P-C4' energy: -16.988
flat angles C4'-P-C4' energy: -20.674
flat angles P-C4'-P energy: -7.567
tors. eta vs tors. theta energy: -7.642
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 447
Temperature: 1.350000
Total energy: -93.029411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.029411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.029411 (E_RNA)
where:
Base-Base interactions energy: -35.034
where: short stacking energy: -35.034
Base-Backbone interact. energy: 0.956
local terms energy: -58.951905
where:
bonds (distance) C4'-P energy: -11.894
bonds (distance) P-C4' energy: -19.974
flat angles C4'-P-C4' energy: -18.193
flat angles P-C4'-P energy: -13.083
tors. eta vs tors. theta energy: 4.193
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 448
Temperature: 0.900000
Total energy: -337.607896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.607896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.607896 (E_RNA)
where:
Base-Base interactions energy: -235.987
where: short stacking energy: -93.747
Base-Backbone interact. energy: -1.118
local terms energy: -100.501929
where:
bonds (distance) C4'-P energy: -21.459
bonds (distance) P-C4' energy: -19.832
flat angles C4'-P-C4' energy: -22.822
flat angles P-C4'-P energy: -14.589
tors. eta vs tors. theta energy: -21.800
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 448
Temperature: 0.950000
Total energy: -337.713220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.713220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.713220 (E_RNA)
where:
Base-Base interactions energy: -232.810
where: short stacking energy: -90.373
Base-Backbone interact. energy: -1.331
local terms energy: -103.572961
where:
bonds (distance) C4'-P energy: -19.008
bonds (distance) P-C4' energy: -18.645
flat angles C4'-P-C4' energy: -22.143
flat angles P-C4'-P energy: -17.635
tors. eta vs tors. theta energy: -26.141
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 448
Temperature: 1.000000
Total energy: -317.809844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.809844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.809844 (E_RNA)
where:
Base-Base interactions energy: -214.507
where: short stacking energy: -89.631
Base-Backbone interact. energy: -0.392
local terms energy: -102.910810
where:
bonds (distance) C4'-P energy: -19.240
bonds (distance) P-C4' energy: -23.308
flat angles C4'-P-C4' energy: -22.535
flat angles P-C4'-P energy: -14.344
tors. eta vs tors. theta energy: -23.484
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 448
Temperature: 1.050000
Total energy: -275.964311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.964311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.964311 (E_RNA)
where:
Base-Base interactions energy: -179.141
where: short stacking energy: -84.111
Base-Backbone interact. energy: -0.258
local terms energy: -96.565786
where:
bonds (distance) C4'-P energy: -19.640
bonds (distance) P-C4' energy: -20.384
flat angles C4'-P-C4' energy: -20.342
flat angles P-C4'-P energy: -10.820
tors. eta vs tors. theta energy: -25.381
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 448
Temperature: 1.100000
Total energy: -262.830897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.830897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.830897 (E_RNA)
where:
Base-Base interactions energy: -170.405
where: short stacking energy: -88.994
Base-Backbone interact. energy: -0.029
local terms energy: -92.396964
where:
bonds (distance) C4'-P energy: -22.232
bonds (distance) P-C4' energy: -16.017
flat angles C4'-P-C4' energy: -18.362
flat angles P-C4'-P energy: -12.913
tors. eta vs tors. theta energy: -22.873
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 448
Temperature: 1.150000
Total energy: -197.408672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.408672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.408672 (E_RNA)
where:
Base-Base interactions energy: -119.134
where: short stacking energy: -70.987
Base-Backbone interact. energy: -0.156
local terms energy: -78.119004
where:
bonds (distance) C4'-P energy: -16.256
bonds (distance) P-C4' energy: -20.293
flat angles C4'-P-C4' energy: -18.975
flat angles P-C4'-P energy: -14.108
tors. eta vs tors. theta energy: -8.486
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 448
Temperature: 1.200000
Total energy: -218.764681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.764681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.764681 (E_RNA)
where:
Base-Base interactions energy: -138.983
where: short stacking energy: -58.850
Base-Backbone interact. energy: -0.369
local terms energy: -79.411941
where:
bonds (distance) C4'-P energy: -16.454
bonds (distance) P-C4' energy: -20.653
flat angles C4'-P-C4' energy: -21.341
flat angles P-C4'-P energy: -11.417
tors. eta vs tors. theta energy: -9.547
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 448
Temperature: 1.250000
Total energy: -227.584624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.584624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.584624 (E_RNA)
where:
Base-Base interactions energy: -144.876
where: short stacking energy: -66.146
Base-Backbone interact. energy: -0.476
local terms energy: -82.232164
where:
bonds (distance) C4'-P energy: -14.712
bonds (distance) P-C4' energy: -18.567
flat angles C4'-P-C4' energy: -14.898
flat angles P-C4'-P energy: -14.104
tors. eta vs tors. theta energy: -19.952
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 448
Temperature: 1.300000
Total energy: -110.514941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.514941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.514941 (E_RNA)
where:
Base-Base interactions energy: -41.842
where: short stacking energy: -35.196
Base-Backbone interact. energy: -0.555
local terms energy: -68.118079
where:
bonds (distance) C4'-P energy: -18.789
bonds (distance) P-C4' energy: -10.643
flat angles C4'-P-C4' energy: -18.281
flat angles P-C4'-P energy: -14.473
tors. eta vs tors. theta energy: -5.933
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 448
Temperature: 1.350000
Total energy: -107.766421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.766421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.766421 (E_RNA)
where:
Base-Base interactions energy: -52.959
where: short stacking energy: -46.609
Base-Backbone interact. energy: 3.641
local terms energy: -58.447883
where:
bonds (distance) C4'-P energy: -12.722
bonds (distance) P-C4' energy: -17.748
flat angles C4'-P-C4' energy: -13.908
flat angles P-C4'-P energy: -11.319
tors. eta vs tors. theta energy: -2.751
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 449
Temperature: 0.900000
Total energy: -352.265974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.265974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.265974 (E_RNA)
where:
Base-Base interactions energy: -245.437
where: short stacking energy: -99.279
Base-Backbone interact. energy: -0.552
local terms energy: -106.277257
where:
bonds (distance) C4'-P energy: -18.064
bonds (distance) P-C4' energy: -22.974
flat angles C4'-P-C4' energy: -22.839
flat angles P-C4'-P energy: -15.539
tors. eta vs tors. theta energy: -26.861
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 449
Temperature: 0.950000
Total energy: -330.580287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.580287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.580287 (E_RNA)
where:
Base-Base interactions energy: -232.857
where: short stacking energy: -91.146
Base-Backbone interact. energy: -0.696
local terms energy: -97.026593
where:
bonds (distance) C4'-P energy: -15.001
bonds (distance) P-C4' energy: -23.269
flat angles C4'-P-C4' energy: -19.781
flat angles P-C4'-P energy: -13.453
tors. eta vs tors. theta energy: -25.523
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 449
Temperature: 1.000000
Total energy: -317.510611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.510611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.510611 (E_RNA)
where:
Base-Base interactions energy: -222.843
where: short stacking energy: -89.026
Base-Backbone interact. energy: 0.810
local terms energy: -95.477217
where:
bonds (distance) C4'-P energy: -20.188
bonds (distance) P-C4' energy: -21.008
flat angles C4'-P-C4' energy: -20.018
flat angles P-C4'-P energy: -10.076
tors. eta vs tors. theta energy: -24.187
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 449
Temperature: 1.050000
Total energy: -273.801416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.801416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.801416 (E_RNA)
where:
Base-Base interactions energy: -186.371
where: short stacking energy: -76.182
Base-Backbone interact. energy: -1.474
local terms energy: -85.955790
where:
bonds (distance) C4'-P energy: -19.162
bonds (distance) P-C4' energy: -17.798
flat angles C4'-P-C4' energy: -18.139
flat angles P-C4'-P energy: -12.406
tors. eta vs tors. theta energy: -18.451
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 449
Temperature: 1.100000
Total energy: -279.805804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.805804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.805804 (E_RNA)
where:
Base-Base interactions energy: -200.016
where: short stacking energy: -85.729
Base-Backbone interact. energy: -0.494
local terms energy: -79.295712
where:
bonds (distance) C4'-P energy: -11.594
bonds (distance) P-C4' energy: -20.030
flat angles C4'-P-C4' energy: -18.023
flat angles P-C4'-P energy: -8.950
tors. eta vs tors. theta energy: -20.698
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 449
Temperature: 1.150000
Total energy: -233.199690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.199690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.199690 (E_RNA)
where:
Base-Base interactions energy: -157.535
where: short stacking energy: -73.204
Base-Backbone interact. energy: -0.030
local terms energy: -75.634967
where:
bonds (distance) C4'-P energy: -16.709
bonds (distance) P-C4' energy: -19.851
flat angles C4'-P-C4' energy: -14.502
flat angles P-C4'-P energy: -6.764
tors. eta vs tors. theta energy: -17.809
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 449
Temperature: 1.200000
Total energy: -212.456294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.456294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.456294 (E_RNA)
where:
Base-Base interactions energy: -135.094
where: short stacking energy: -66.724
Base-Backbone interact. energy: 0.612
local terms energy: -77.974885
where:
bonds (distance) C4'-P energy: -17.045
bonds (distance) P-C4' energy: -21.296
flat angles C4'-P-C4' energy: -18.537
flat angles P-C4'-P energy: -10.645
tors. eta vs tors. theta energy: -10.452
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 449
Temperature: 1.250000
Total energy: -237.643507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.643507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.643507 (E_RNA)
where:
Base-Base interactions energy: -163.019
where: short stacking energy: -64.041
Base-Backbone interact. energy: 0.530
local terms energy: -75.154613
where:
bonds (distance) C4'-P energy: -14.913
bonds (distance) P-C4' energy: -16.317
flat angles C4'-P-C4' energy: -19.402
flat angles P-C4'-P energy: -11.311
tors. eta vs tors. theta energy: -13.211
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 449
Temperature: 1.300000
Total energy: -104.708138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.708138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.708138 (E_RNA)
where:
Base-Base interactions energy: -41.357
where: short stacking energy: -41.357
Base-Backbone interact. energy: -1.106
local terms energy: -62.245965
where:
bonds (distance) C4'-P energy: -15.431
bonds (distance) P-C4' energy: -16.390
flat angles C4'-P-C4' energy: -10.744
flat angles P-C4'-P energy: -14.706
tors. eta vs tors. theta energy: -4.975
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 449
Temperature: 1.350000
Total energy: -112.775109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.775109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.775109 (E_RNA)
where:
Base-Base interactions energy: -49.128
where: short stacking energy: -39.945
Base-Backbone interact. energy: 0.900
local terms energy: -64.546436
where:
bonds (distance) C4'-P energy: -14.980
bonds (distance) P-C4' energy: -16.085
flat angles C4'-P-C4' energy: -21.843
flat angles P-C4'-P energy: -7.731
tors. eta vs tors. theta energy: -3.908
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 450
Temperature: 0.900000
Total energy: -341.838226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.838226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.838226 (E_RNA)
where:
Base-Base interactions energy: -245.016
where: short stacking energy: -101.616
Base-Backbone interact. energy: -0.648
local terms energy: -96.174176
where:
bonds (distance) C4'-P energy: -17.289
bonds (distance) P-C4' energy: -18.062
flat angles C4'-P-C4' energy: -21.662
flat angles P-C4'-P energy: -12.127
tors. eta vs tors. theta energy: -27.034
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 450
Temperature: 0.950000
Total energy: -338.693048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.693048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.693048 (E_RNA)
where:
Base-Base interactions energy: -242.868
where: short stacking energy: -93.089
Base-Backbone interact. energy: -0.702
local terms energy: -95.122759
where:
bonds (distance) C4'-P energy: -19.567
bonds (distance) P-C4' energy: -22.106
flat angles C4'-P-C4' energy: -18.454
flat angles P-C4'-P energy: -12.797
tors. eta vs tors. theta energy: -22.199
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 450
Temperature: 1.000000
Total energy: -314.617103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.617103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.617103 (E_RNA)
where:
Base-Base interactions energy: -228.370
where: short stacking energy: -90.552
Base-Backbone interact. energy: -0.516
local terms energy: -85.730417
where:
bonds (distance) C4'-P energy: -13.700
bonds (distance) P-C4' energy: -19.330
flat angles C4'-P-C4' energy: -18.523
flat angles P-C4'-P energy: -10.908
tors. eta vs tors. theta energy: -23.269
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 450
Temperature: 1.050000
Total energy: -295.913171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.913171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.913171 (E_RNA)
where:
Base-Base interactions energy: -203.910
where: short stacking energy: -93.720
Base-Backbone interact. energy: -0.476
local terms energy: -91.527668
where:
bonds (distance) C4'-P energy: -14.598
bonds (distance) P-C4' energy: -22.236
flat angles C4'-P-C4' energy: -17.286
flat angles P-C4'-P energy: -12.291
tors. eta vs tors. theta energy: -25.116
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 450
Temperature: 1.100000
Total energy: -247.241801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.241801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.241801 (E_RNA)
where:
Base-Base interactions energy: -159.563
where: short stacking energy: -71.613
Base-Backbone interact. energy: -0.149
local terms energy: -87.529255
where:
bonds (distance) C4'-P energy: -18.853
bonds (distance) P-C4' energy: -17.126
flat angles C4'-P-C4' energy: -18.354
flat angles P-C4'-P energy: -13.502
tors. eta vs tors. theta energy: -19.693
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 450
Temperature: 1.150000
Total energy: -275.971158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.971158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.971158 (E_RNA)
where:
Base-Base interactions energy: -187.464
where: short stacking energy: -79.634
Base-Backbone interact. energy: 0.114
local terms energy: -88.620582
where:
bonds (distance) C4'-P energy: -15.481
bonds (distance) P-C4' energy: -20.062
flat angles C4'-P-C4' energy: -19.802
flat angles P-C4'-P energy: -15.458
tors. eta vs tors. theta energy: -17.817
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 450
Temperature: 1.200000
Total energy: -222.498902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.498902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.498902 (E_RNA)
where:
Base-Base interactions energy: -142.431
where: short stacking energy: -55.454
Base-Backbone interact. energy: 0.173
local terms energy: -80.240636
where:
bonds (distance) C4'-P energy: -15.194
bonds (distance) P-C4' energy: -16.306
flat angles C4'-P-C4' energy: -20.569
flat angles P-C4'-P energy: -14.752
tors. eta vs tors. theta energy: -13.420
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 450
Temperature: 1.250000
Total energy: -196.953240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.953240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.953240 (E_RNA)
where:
Base-Base interactions energy: -114.573
where: short stacking energy: -69.274
Base-Backbone interact. energy: -0.465
local terms energy: -81.915149
where:
bonds (distance) C4'-P energy: -18.574
bonds (distance) P-C4' energy: -21.178
flat angles C4'-P-C4' energy: -15.844
flat angles P-C4'-P energy: -11.800
tors. eta vs tors. theta energy: -14.519
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 450
Temperature: 1.300000
Total energy: -155.462139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.462139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.462139 (E_RNA)
where:
Base-Base interactions energy: -89.511
where: short stacking energy: -49.431
Base-Backbone interact. energy: -1.082
local terms energy: -64.869447
where:
bonds (distance) C4'-P energy: -13.817
bonds (distance) P-C4' energy: -16.951
flat angles C4'-P-C4' energy: -17.153
flat angles P-C4'-P energy: -10.502
tors. eta vs tors. theta energy: -6.447
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 450
Temperature: 1.350000
Total energy: -108.734273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.734273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.734273 (E_RNA)
where:
Base-Base interactions energy: -39.645
where: short stacking energy: -34.188
Base-Backbone interact. energy: -1.102
local terms energy: -67.987256
where:
bonds (distance) C4'-P energy: -17.682
bonds (distance) P-C4' energy: -14.467
flat angles C4'-P-C4' energy: -23.174
flat angles P-C4'-P energy: -6.134
tors. eta vs tors. theta energy: -6.531
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 451
Temperature: 0.900000
Total energy: -343.100020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.100020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.100020 (E_RNA)
where:
Base-Base interactions energy: -239.110
where: short stacking energy: -90.400
Base-Backbone interact. energy: 0.272
local terms energy: -104.262178
where:
bonds (distance) C4'-P energy: -20.624
bonds (distance) P-C4' energy: -22.909
flat angles C4'-P-C4' energy: -18.449
flat angles P-C4'-P energy: -16.257
tors. eta vs tors. theta energy: -26.023
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 451
Temperature: 0.950000
Total energy: -329.717453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.717453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.717453 (E_RNA)
where:
Base-Base interactions energy: -231.134
where: short stacking energy: -94.261
Base-Backbone interact. energy: -1.102
local terms energy: -97.481356
where:
bonds (distance) C4'-P energy: -14.726
bonds (distance) P-C4' energy: -21.089
flat angles C4'-P-C4' energy: -24.534
flat angles P-C4'-P energy: -14.788
tors. eta vs tors. theta energy: -22.344
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 451
Temperature: 1.000000
Total energy: -316.585026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.585026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.585026 (E_RNA)
where:
Base-Base interactions energy: -219.094
where: short stacking energy: -93.919
Base-Backbone interact. energy: -1.657
local terms energy: -95.833458
where:
bonds (distance) C4'-P energy: -12.125
bonds (distance) P-C4' energy: -21.259
flat angles C4'-P-C4' energy: -21.704
flat angles P-C4'-P energy: -15.437
tors. eta vs tors. theta energy: -25.308
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 451
Temperature: 1.050000
Total energy: -290.964088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.964088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.964088 (E_RNA)
where:
Base-Base interactions energy: -194.684
where: short stacking energy: -95.520
Base-Backbone interact. energy: 0.360
local terms energy: -96.640581
where:
bonds (distance) C4'-P energy: -15.713
bonds (distance) P-C4' energy: -19.065
flat angles C4'-P-C4' energy: -22.847
flat angles P-C4'-P energy: -15.643
tors. eta vs tors. theta energy: -23.372
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 451
Temperature: 1.100000
Total energy: -239.665933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.665933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.665933 (E_RNA)
where:
Base-Base interactions energy: -160.752
where: short stacking energy: -74.730
Base-Backbone interact. energy: -0.179
local terms energy: -78.734854
where:
bonds (distance) C4'-P energy: -15.693
bonds (distance) P-C4' energy: -20.419
flat angles C4'-P-C4' energy: -16.210
flat angles P-C4'-P energy: -10.261
tors. eta vs tors. theta energy: -16.151
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 451
Temperature: 1.150000
Total energy: -286.391898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.391898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.391898 (E_RNA)
where:
Base-Base interactions energy: -197.737
where: short stacking energy: -86.965
Base-Backbone interact. energy: -0.221
local terms energy: -88.433665
where:
bonds (distance) C4'-P energy: -15.973
bonds (distance) P-C4' energy: -17.607
flat angles C4'-P-C4' energy: -20.101
flat angles P-C4'-P energy: -11.276
tors. eta vs tors. theta energy: -23.476
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 451
Temperature: 1.200000
Total energy: -233.155114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.155114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.155114 (E_RNA)
where:
Base-Base interactions energy: -163.353
where: short stacking energy: -69.521
Base-Backbone interact. energy: -0.275
local terms energy: -69.526660
where:
bonds (distance) C4'-P energy: -19.914
bonds (distance) P-C4' energy: -14.020
flat angles C4'-P-C4' energy: -14.296
flat angles P-C4'-P energy: -10.300
tors. eta vs tors. theta energy: -10.997
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 451
Temperature: 1.250000
Total energy: -138.322373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.322373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.322373 (E_RNA)
where:
Base-Base interactions energy: -82.575
where: short stacking energy: -34.859
Base-Backbone interact. energy: -0.715
local terms energy: -55.032607
where:
bonds (distance) C4'-P energy: -15.932
bonds (distance) P-C4' energy: -14.059
flat angles C4'-P-C4' energy: -17.733
flat angles P-C4'-P energy: -8.265
tors. eta vs tors. theta energy: 0.956
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 451
Temperature: 1.300000
Total energy: -197.193068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.193068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.193068 (E_RNA)
where:
Base-Base interactions energy: -123.102
where: short stacking energy: -57.124
Base-Backbone interact. energy: -0.405
local terms energy: -73.685625
where:
bonds (distance) C4'-P energy: -16.939
bonds (distance) P-C4' energy: -17.515
flat angles C4'-P-C4' energy: -21.666
flat angles P-C4'-P energy: -9.034
tors. eta vs tors. theta energy: -8.533
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 451
Temperature: 1.350000
Total energy: -98.731663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.731663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.731663 (E_RNA)
where:
Base-Base interactions energy: -48.662
where: short stacking energy: -37.019
Base-Backbone interact. energy: -0.105
local terms energy: -49.965343
where:
bonds (distance) C4'-P energy: -6.832
bonds (distance) P-C4' energy: -18.861
flat angles C4'-P-C4' energy: -17.111
flat angles P-C4'-P energy: -12.137
tors. eta vs tors. theta energy: 4.975
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 452
Temperature: 0.900000
Total energy: -339.442358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.442358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.442358 (E_RNA)
where:
Base-Base interactions energy: -249.112
where: short stacking energy: -94.880
Base-Backbone interact. energy: -0.640
local terms energy: -89.689909
where:
bonds (distance) C4'-P energy: -17.137
bonds (distance) P-C4' energy: -18.756
flat angles C4'-P-C4' energy: -16.049
flat angles P-C4'-P energy: -14.371
tors. eta vs tors. theta energy: -23.379
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 452
Temperature: 0.950000
Total energy: -342.137863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.137863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.137863 (E_RNA)
where:
Base-Base interactions energy: -238.675
where: short stacking energy: -97.495
Base-Backbone interact. energy: -0.561
local terms energy: -102.902138
where:
bonds (distance) C4'-P energy: -22.631
bonds (distance) P-C4' energy: -18.205
flat angles C4'-P-C4' energy: -22.027
flat angles P-C4'-P energy: -14.164
tors. eta vs tors. theta energy: -25.875
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 452
Temperature: 1.000000
Total energy: -320.185806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.185806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.185806 (E_RNA)
where:
Base-Base interactions energy: -229.305
where: short stacking energy: -87.329
Base-Backbone interact. energy: -0.551
local terms energy: -90.329539
where:
bonds (distance) C4'-P energy: -17.181
bonds (distance) P-C4' energy: -17.073
flat angles C4'-P-C4' energy: -18.273
flat angles P-C4'-P energy: -14.504
tors. eta vs tors. theta energy: -23.299
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 452
Temperature: 1.050000
Total energy: -286.586446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.586446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.586446 (E_RNA)
where:
Base-Base interactions energy: -192.222
where: short stacking energy: -83.892
Base-Backbone interact. energy: -0.536
local terms energy: -93.828784
where:
bonds (distance) C4'-P energy: -16.384
bonds (distance) P-C4' energy: -19.914
flat angles C4'-P-C4' energy: -16.416
flat angles P-C4'-P energy: -15.020
tors. eta vs tors. theta energy: -26.095
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 452
Temperature: 1.100000
Total energy: -288.062639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.062639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.062639 (E_RNA)
where:
Base-Base interactions energy: -191.264
where: short stacking energy: -90.143
Base-Backbone interact. energy: -0.765
local terms energy: -96.033372
where:
bonds (distance) C4'-P energy: -14.990
bonds (distance) P-C4' energy: -18.585
flat angles C4'-P-C4' energy: -20.740
flat angles P-C4'-P energy: -14.373
tors. eta vs tors. theta energy: -27.346
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 452
Temperature: 1.150000
Total energy: -237.500600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.500600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.500600 (E_RNA)
where:
Base-Base interactions energy: -157.546
where: short stacking energy: -76.053
Base-Backbone interact. energy: 0.161
local terms energy: -80.115893
where:
bonds (distance) C4'-P energy: -16.587
bonds (distance) P-C4' energy: -17.102
flat angles C4'-P-C4' energy: -17.729
flat angles P-C4'-P energy: -16.170
tors. eta vs tors. theta energy: -12.528
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 452
Temperature: 1.200000
Total energy: -254.807560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.807560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.807560 (E_RNA)
where:
Base-Base interactions energy: -171.100
where: short stacking energy: -71.854
Base-Backbone interact. energy: -0.663
local terms energy: -83.044272
where:
bonds (distance) C4'-P energy: -18.593
bonds (distance) P-C4' energy: -20.310
flat angles C4'-P-C4' energy: -19.335
flat angles P-C4'-P energy: -12.485
tors. eta vs tors. theta energy: -12.321
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 452
Temperature: 1.250000
Total energy: -110.630827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.630827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.630827 (E_RNA)
where:
Base-Base interactions energy: -44.691
where: short stacking energy: -41.375
Base-Backbone interact. energy: -0.304
local terms energy: -65.635462
where:
bonds (distance) C4'-P energy: -13.974
bonds (distance) P-C4' energy: -17.747
flat angles C4'-P-C4' energy: -11.846
flat angles P-C4'-P energy: -16.749
tors. eta vs tors. theta energy: -5.320
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 452
Temperature: 1.300000
Total energy: -179.257464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.257464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.257464 (E_RNA)
where:
Base-Base interactions energy: -114.693
where: short stacking energy: -65.860
Base-Backbone interact. energy: -0.410
local terms energy: -64.154866
where:
bonds (distance) C4'-P energy: -14.413
bonds (distance) P-C4' energy: -17.083
flat angles C4'-P-C4' energy: -9.325
flat angles P-C4'-P energy: -13.051
tors. eta vs tors. theta energy: -10.282
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 452
Temperature: 1.350000
Total energy: -101.347018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.347018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.347018 (E_RNA)
where:
Base-Base interactions energy: -43.129
where: short stacking energy: -20.906
Base-Backbone interact. energy: 0.883
local terms energy: -59.100281
where:
bonds (distance) C4'-P energy: -12.587
bonds (distance) P-C4' energy: -18.006
flat angles C4'-P-C4' energy: -21.705
flat angles P-C4'-P energy: -5.706
tors. eta vs tors. theta energy: -1.096
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 453
Temperature: 0.900000
Total energy: -347.552273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.552273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.552273 (E_RNA)
where:
Base-Base interactions energy: -246.730
where: short stacking energy: -102.722
Base-Backbone interact. energy: -0.553
local terms energy: -100.269069
where:
bonds (distance) C4'-P energy: -22.534
bonds (distance) P-C4' energy: -18.559
flat angles C4'-P-C4' energy: -17.130
flat angles P-C4'-P energy: -16.975
tors. eta vs tors. theta energy: -25.072
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 453
Temperature: 0.950000
Total energy: -334.717754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.717754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.717754 (E_RNA)
where:
Base-Base interactions energy: -243.502
where: short stacking energy: -91.219
Base-Backbone interact. energy: -0.906
local terms energy: -90.309881
where:
bonds (distance) C4'-P energy: -19.127
bonds (distance) P-C4' energy: -16.735
flat angles C4'-P-C4' energy: -20.393
flat angles P-C4'-P energy: -10.077
tors. eta vs tors. theta energy: -23.978
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 453
Temperature: 1.000000
Total energy: -335.902465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.902465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.902465 (E_RNA)
where:
Base-Base interactions energy: -240.071
where: short stacking energy: -98.261
Base-Backbone interact. energy: -0.629
local terms energy: -95.201885
where:
bonds (distance) C4'-P energy: -15.968
bonds (distance) P-C4' energy: -19.149
flat angles C4'-P-C4' energy: -20.806
flat angles P-C4'-P energy: -12.095
tors. eta vs tors. theta energy: -27.184
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 453
Temperature: 1.050000
Total energy: -295.778108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.778108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.778108 (E_RNA)
where:
Base-Base interactions energy: -197.880
where: short stacking energy: -94.987
Base-Backbone interact. energy: -0.870
local terms energy: -97.028094
where:
bonds (distance) C4'-P energy: -16.469
bonds (distance) P-C4' energy: -18.419
flat angles C4'-P-C4' energy: -20.662
flat angles P-C4'-P energy: -12.560
tors. eta vs tors. theta energy: -28.918
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 453
Temperature: 1.100000
Total energy: -288.092647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.092647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.092647 (E_RNA)
where:
Base-Base interactions energy: -196.679
where: short stacking energy: -87.984
Base-Backbone interact. energy: -0.570
local terms energy: -90.844075
where:
bonds (distance) C4'-P energy: -15.482
bonds (distance) P-C4' energy: -17.700
flat angles C4'-P-C4' energy: -20.401
flat angles P-C4'-P energy: -12.118
tors. eta vs tors. theta energy: -25.143
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 453
Temperature: 1.150000
Total energy: -263.284584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.284584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.284584 (E_RNA)
where:
Base-Base interactions energy: -171.924
where: short stacking energy: -82.718
Base-Backbone interact. energy: -1.587
local terms energy: -89.773793
where:
bonds (distance) C4'-P energy: -18.524
bonds (distance) P-C4' energy: -21.707
flat angles C4'-P-C4' energy: -20.211
flat angles P-C4'-P energy: -9.303
tors. eta vs tors. theta energy: -20.029
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 453
Temperature: 1.200000
Total energy: -221.589360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.589360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.589360 (E_RNA)
where:
Base-Base interactions energy: -152.596
where: short stacking energy: -67.394
Base-Backbone interact. energy: 0.008
local terms energy: -69.001373
where:
bonds (distance) C4'-P energy: -21.790
bonds (distance) P-C4' energy: -21.387
flat angles C4'-P-C4' energy: -13.099
flat angles P-C4'-P energy: -3.843
tors. eta vs tors. theta energy: -8.882
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 453
Temperature: 1.250000
Total energy: -124.758976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.758976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.758976 (E_RNA)
where:
Base-Base interactions energy: -49.954
where: short stacking energy: -38.234
Base-Backbone interact. energy: -0.129
local terms energy: -74.675590
where:
bonds (distance) C4'-P energy: -21.794
bonds (distance) P-C4' energy: -18.209
flat angles C4'-P-C4' energy: -16.290
flat angles P-C4'-P energy: -12.223
tors. eta vs tors. theta energy: -6.159
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 453
Temperature: 1.300000
Total energy: -108.741093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.741093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.741093 (E_RNA)
where:
Base-Base interactions energy: -46.038
where: short stacking energy: -38.507
Base-Backbone interact. energy: -0.186
local terms energy: -62.517804
where:
bonds (distance) C4'-P energy: -19.830
bonds (distance) P-C4' energy: -19.821
flat angles C4'-P-C4' energy: -13.897
flat angles P-C4'-P energy: -10.730
tors. eta vs tors. theta energy: 1.760
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 453
Temperature: 1.350000
Total energy: -110.107369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.107369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.107369 (E_RNA)
where:
Base-Base interactions energy: -50.402
where: short stacking energy: -42.758
Base-Backbone interact. energy: -0.171
local terms energy: -59.535099
where:
bonds (distance) C4'-P energy: -18.776
bonds (distance) P-C4' energy: -11.147
flat angles C4'-P-C4' energy: -12.958
flat angles P-C4'-P energy: -13.019
tors. eta vs tors. theta energy: -3.636
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 454
Temperature: 0.900000
Total energy: -325.309484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.309484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.309484 (E_RNA)
where:
Base-Base interactions energy: -227.694
where: short stacking energy: -91.315
Base-Backbone interact. energy: -0.387
local terms energy: -97.227998
where:
bonds (distance) C4'-P energy: -20.104
bonds (distance) P-C4' energy: -17.343
flat angles C4'-P-C4' energy: -21.819
flat angles P-C4'-P energy: -12.470
tors. eta vs tors. theta energy: -25.491
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 454
Temperature: 0.950000
Total energy: -337.901899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.901899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.901899 (E_RNA)
where:
Base-Base interactions energy: -242.760
where: short stacking energy: -95.575
Base-Backbone interact. energy: -0.323
local terms energy: -94.818540
where:
bonds (distance) C4'-P energy: -20.706
bonds (distance) P-C4' energy: -20.495
flat angles C4'-P-C4' energy: -15.047
flat angles P-C4'-P energy: -14.345
tors. eta vs tors. theta energy: -24.226
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 454
Temperature: 1.000000
Total energy: -333.763532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.763532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.763532 (E_RNA)
where:
Base-Base interactions energy: -238.495
where: short stacking energy: -94.599
Base-Backbone interact. energy: -0.139
local terms energy: -95.129227
where:
bonds (distance) C4'-P energy: -20.309
bonds (distance) P-C4' energy: -16.043
flat angles C4'-P-C4' energy: -18.801
flat angles P-C4'-P energy: -13.692
tors. eta vs tors. theta energy: -26.284
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 454
Temperature: 1.050000
Total energy: -288.668832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.668832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.668832 (E_RNA)
where:
Base-Base interactions energy: -195.660
where: short stacking energy: -85.480
Base-Backbone interact. energy: -0.171
local terms energy: -92.837290
where:
bonds (distance) C4'-P energy: -18.490
bonds (distance) P-C4' energy: -18.690
flat angles C4'-P-C4' energy: -19.554
flat angles P-C4'-P energy: -12.309
tors. eta vs tors. theta energy: -23.794
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 454
Temperature: 1.100000
Total energy: -269.511100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.511100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.511100 (E_RNA)
where:
Base-Base interactions energy: -187.402
where: short stacking energy: -78.490
Base-Backbone interact. energy: -0.112
local terms energy: -81.996938
where:
bonds (distance) C4'-P energy: -18.106
bonds (distance) P-C4' energy: -19.974
flat angles C4'-P-C4' energy: -17.819
flat angles P-C4'-P energy: -10.450
tors. eta vs tors. theta energy: -15.647
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 454
Temperature: 1.150000
Total energy: -276.655921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.655921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.655921 (E_RNA)
where:
Base-Base interactions energy: -185.205
where: short stacking energy: -93.706
Base-Backbone interact. energy: -0.249
local terms energy: -91.201530
where:
bonds (distance) C4'-P energy: -17.182
bonds (distance) P-C4' energy: -19.098
flat angles C4'-P-C4' energy: -18.985
flat angles P-C4'-P energy: -13.800
tors. eta vs tors. theta energy: -22.137
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 454
Temperature: 1.200000
Total energy: -235.159670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.159670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.159670 (E_RNA)
where:
Base-Base interactions energy: -148.899
where: short stacking energy: -62.303
Base-Backbone interact. energy: -0.324
local terms energy: -85.936455
where:
bonds (distance) C4'-P energy: -17.705
bonds (distance) P-C4' energy: -17.687
flat angles C4'-P-C4' energy: -17.937
flat angles P-C4'-P energy: -13.344
tors. eta vs tors. theta energy: -19.263
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 454
Temperature: 1.250000
Total energy: -105.803904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.803904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.803904 (E_RNA)
where:
Base-Base interactions energy: -46.178
where: short stacking energy: -34.198
Base-Backbone interact. energy: -0.143
local terms energy: -59.482494
where:
bonds (distance) C4'-P energy: -19.906
bonds (distance) P-C4' energy: -18.231
flat angles C4'-P-C4' energy: -14.318
flat angles P-C4'-P energy: -9.760
tors. eta vs tors. theta energy: 2.733
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 454
Temperature: 1.300000
Total energy: -134.192382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.192382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.192382 (E_RNA)
where:
Base-Base interactions energy: -76.880
where: short stacking energy: -33.144
Base-Backbone interact. energy: -0.205
local terms energy: -57.107530
where:
bonds (distance) C4'-P energy: -14.520
bonds (distance) P-C4' energy: -20.156
flat angles C4'-P-C4' energy: -15.081
flat angles P-C4'-P energy: -9.968
tors. eta vs tors. theta energy: 2.617
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 454
Temperature: 1.350000
Total energy: -105.678548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.678548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.678548 (E_RNA)
where:
Base-Base interactions energy: -43.029
where: short stacking energy: -40.983
Base-Backbone interact. energy: -0.211
local terms energy: -62.438270
where:
bonds (distance) C4'-P energy: -21.355
bonds (distance) P-C4' energy: -20.014
flat angles C4'-P-C4' energy: -12.855
flat angles P-C4'-P energy: -4.587
tors. eta vs tors. theta energy: -3.628
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 455
Temperature: 0.900000
Total energy: -327.582338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.582338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.582338 (E_RNA)
where:
Base-Base interactions energy: -225.743
where: short stacking energy: -93.117
Base-Backbone interact. energy: -0.590
local terms energy: -101.249196
where:
bonds (distance) C4'-P energy: -20.813
bonds (distance) P-C4' energy: -19.129
flat angles C4'-P-C4' energy: -23.618
flat angles P-C4'-P energy: -13.741
tors. eta vs tors. theta energy: -23.947
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 455
Temperature: 0.950000
Total energy: -338.525575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.525575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.525575 (E_RNA)
where:
Base-Base interactions energy: -244.244
where: short stacking energy: -91.255
Base-Backbone interact. energy: 0.807
local terms energy: -95.088803
where:
bonds (distance) C4'-P energy: -18.735
bonds (distance) P-C4' energy: -20.844
flat angles C4'-P-C4' energy: -20.887
flat angles P-C4'-P energy: -13.120
tors. eta vs tors. theta energy: -21.503
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 455
Temperature: 1.000000
Total energy: -331.882852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.882852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.882852 (E_RNA)
where:
Base-Base interactions energy: -237.943
where: short stacking energy: -99.160
Base-Backbone interact. energy: 0.732
local terms energy: -94.671350
where:
bonds (distance) C4'-P energy: -17.857
bonds (distance) P-C4' energy: -20.379
flat angles C4'-P-C4' energy: -17.397
flat angles P-C4'-P energy: -13.591
tors. eta vs tors. theta energy: -25.448
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 455
Temperature: 1.050000
Total energy: -290.212312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.212312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.212312 (E_RNA)
where:
Base-Base interactions energy: -201.517
where: short stacking energy: -79.928
Base-Backbone interact. energy: -0.106
local terms energy: -88.589534
where:
bonds (distance) C4'-P energy: -21.077
bonds (distance) P-C4' energy: -18.121
flat angles C4'-P-C4' energy: -18.429
flat angles P-C4'-P energy: -8.329
tors. eta vs tors. theta energy: -22.634
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 455
Temperature: 1.100000
Total energy: -286.044189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.044189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.044189 (E_RNA)
where:
Base-Base interactions energy: -196.761
where: short stacking energy: -86.038
Base-Backbone interact. energy: -0.254
local terms energy: -89.028841
where:
bonds (distance) C4'-P energy: -17.895
bonds (distance) P-C4' energy: -21.306
flat angles C4'-P-C4' energy: -21.353
flat angles P-C4'-P energy: -11.286
tors. eta vs tors. theta energy: -17.189
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 455
Temperature: 1.150000
Total energy: -250.817216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.817216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.817216 (E_RNA)
where:
Base-Base interactions energy: -168.395
where: short stacking energy: -77.576
Base-Backbone interact. energy: -0.457
local terms energy: -81.965408
where:
bonds (distance) C4'-P energy: -19.286
bonds (distance) P-C4' energy: -15.589
flat angles C4'-P-C4' energy: -19.533
flat angles P-C4'-P energy: -9.256
tors. eta vs tors. theta energy: -18.301
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 455
Temperature: 1.200000
Total energy: -230.074858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.074858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.074858 (E_RNA)
where:
Base-Base interactions energy: -151.967
where: short stacking energy: -76.536
Base-Backbone interact. energy: -0.006
local terms energy: -78.101307
where:
bonds (distance) C4'-P energy: -17.981
bonds (distance) P-C4' energy: -18.472
flat angles C4'-P-C4' energy: -15.376
flat angles P-C4'-P energy: -8.857
tors. eta vs tors. theta energy: -17.416
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 455
Temperature: 1.250000
Total energy: -131.994460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.994460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.994460 (E_RNA)
where:
Base-Base interactions energy: -61.564
where: short stacking energy: -40.668
Base-Backbone interact. energy: -0.253
local terms energy: -70.177546
where:
bonds (distance) C4'-P energy: -17.688
bonds (distance) P-C4' energy: -24.904
flat angles C4'-P-C4' energy: -17.260
flat angles P-C4'-P energy: -8.092
tors. eta vs tors. theta energy: -2.233
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 455
Temperature: 1.300000
Total energy: -106.083299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.083299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.083299 (E_RNA)
where:
Base-Base interactions energy: -37.260
where: short stacking energy: -24.968
Base-Backbone interact. energy: -0.382
local terms energy: -68.441137
where:
bonds (distance) C4'-P energy: -18.217
bonds (distance) P-C4' energy: -20.290
flat angles C4'-P-C4' energy: -16.857
flat angles P-C4'-P energy: -10.854
tors. eta vs tors. theta energy: -2.224
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 455
Temperature: 1.350000
Total energy: -102.431024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.431024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.431024 (E_RNA)
where:
Base-Base interactions energy: -37.235
where: short stacking energy: -31.307
Base-Backbone interact. energy: -0.156
local terms energy: -65.040000
where:
bonds (distance) C4'-P energy: -20.119
bonds (distance) P-C4' energy: -15.091
flat angles C4'-P-C4' energy: -15.054
flat angles P-C4'-P energy: -12.594
tors. eta vs tors. theta energy: -2.183
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 456
Temperature: 0.900000
Total energy: -332.908544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.908544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.908544 (E_RNA)
where:
Base-Base interactions energy: -233.392
where: short stacking energy: -96.285
Base-Backbone interact. energy: -0.304
local terms energy: -99.212652
where:
bonds (distance) C4'-P energy: -20.155
bonds (distance) P-C4' energy: -22.145
flat angles C4'-P-C4' energy: -19.167
flat angles P-C4'-P energy: -15.333
tors. eta vs tors. theta energy: -22.413
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 456
Temperature: 0.950000
Total energy: -338.466724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.466724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.466724 (E_RNA)
where:
Base-Base interactions energy: -237.195
where: short stacking energy: -94.441
Base-Backbone interact. energy: -0.497
local terms energy: -100.775084
where:
bonds (distance) C4'-P energy: -19.968
bonds (distance) P-C4' energy: -21.250
flat angles C4'-P-C4' energy: -22.202
flat angles P-C4'-P energy: -17.167
tors. eta vs tors. theta energy: -20.187
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 456
Temperature: 1.000000
Total energy: -340.893379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.893379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.893379 (E_RNA)
where:
Base-Base interactions energy: -242.675
where: short stacking energy: -101.643
Base-Backbone interact. energy: -1.048
local terms energy: -97.170274
where:
bonds (distance) C4'-P energy: -19.377
bonds (distance) P-C4' energy: -19.221
flat angles C4'-P-C4' energy: -21.133
flat angles P-C4'-P energy: -12.767
tors. eta vs tors. theta energy: -24.673
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 456
Temperature: 1.050000
Total energy: -279.959921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.959921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.959921 (E_RNA)
where:
Base-Base interactions energy: -193.304
where: short stacking energy: -84.514
Base-Backbone interact. energy: -0.307
local terms energy: -86.349055
where:
bonds (distance) C4'-P energy: -15.199
bonds (distance) P-C4' energy: -19.696
flat angles C4'-P-C4' energy: -19.256
flat angles P-C4'-P energy: -13.728
tors. eta vs tors. theta energy: -18.470
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 456
Temperature: 1.100000
Total energy: -265.970489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.970489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.970489 (E_RNA)
where:
Base-Base interactions energy: -188.914
where: short stacking energy: -70.178
Base-Backbone interact. energy: -1.379
local terms energy: -75.677443
where:
bonds (distance) C4'-P energy: -14.263
bonds (distance) P-C4' energy: -19.174
flat angles C4'-P-C4' energy: -17.428
flat angles P-C4'-P energy: -13.561
tors. eta vs tors. theta energy: -11.252
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 456
Temperature: 1.150000
Total energy: -247.703481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.703481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.703481 (E_RNA)
where:
Base-Base interactions energy: -162.299
where: short stacking energy: -75.474
Base-Backbone interact. energy: 1.237
local terms energy: -86.641510
where:
bonds (distance) C4'-P energy: -12.653
bonds (distance) P-C4' energy: -21.529
flat angles C4'-P-C4' energy: -18.358
flat angles P-C4'-P energy: -15.534
tors. eta vs tors. theta energy: -18.567
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 456
Temperature: 1.200000
Total energy: -232.802681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.802681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.802681 (E_RNA)
where:
Base-Base interactions energy: -144.101
where: short stacking energy: -71.818
Base-Backbone interact. energy: -0.323
local terms energy: -88.377872
where:
bonds (distance) C4'-P energy: -15.918
bonds (distance) P-C4' energy: -21.560
flat angles C4'-P-C4' energy: -22.018
flat angles P-C4'-P energy: -13.978
tors. eta vs tors. theta energy: -14.904
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 456
Temperature: 1.250000
Total energy: -126.198403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.198403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.198403 (E_RNA)
where:
Base-Base interactions energy: -61.605
where: short stacking energy: -40.639
Base-Backbone interact. energy: -0.975
local terms energy: -63.618762
where:
bonds (distance) C4'-P energy: -14.346
bonds (distance) P-C4' energy: -18.579
flat angles C4'-P-C4' energy: -15.158
flat angles P-C4'-P energy: -11.523
tors. eta vs tors. theta energy: -4.013
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 456
Temperature: 1.300000
Total energy: -109.496877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.496877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.496877 (E_RNA)
where:
Base-Base interactions energy: -41.942
where: short stacking energy: -36.329
Base-Backbone interact. energy: -0.003
local terms energy: -67.552179
where:
bonds (distance) C4'-P energy: -17.568
bonds (distance) P-C4' energy: -20.872
flat angles C4'-P-C4' energy: -12.881
flat angles P-C4'-P energy: -8.681
tors. eta vs tors. theta energy: -7.550
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 456
Temperature: 1.350000
Total energy: -103.600766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.600766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.600766 (E_RNA)
where:
Base-Base interactions energy: -50.728
where: short stacking energy: -37.358
Base-Backbone interact. energy: -0.275
local terms energy: -52.597598
where:
bonds (distance) C4'-P energy: -8.235
bonds (distance) P-C4' energy: -12.292
flat angles C4'-P-C4' energy: -17.043
flat angles P-C4'-P energy: -10.726
tors. eta vs tors. theta energy: -4.301
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 457
Temperature: 0.900000
Total energy: -322.117548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.117548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.117548 (E_RNA)
where:
Base-Base interactions energy: -224.761
where: short stacking energy: -90.915
Base-Backbone interact. energy: -1.081
local terms energy: -96.275764
where:
bonds (distance) C4'-P energy: -18.825
bonds (distance) P-C4' energy: -18.249
flat angles C4'-P-C4' energy: -21.240
flat angles P-C4'-P energy: -14.897
tors. eta vs tors. theta energy: -23.064
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 457
Temperature: 0.950000
Total energy: -345.411966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.411966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.411966 (E_RNA)
where:
Base-Base interactions energy: -243.189
where: short stacking energy: -101.509
Base-Backbone interact. energy: -0.956
local terms energy: -101.267329
where:
bonds (distance) C4'-P energy: -19.711
bonds (distance) P-C4' energy: -22.771
flat angles C4'-P-C4' energy: -19.115
flat angles P-C4'-P energy: -15.310
tors. eta vs tors. theta energy: -24.360
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 457
Temperature: 1.000000
Total energy: -344.124570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.124570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.124570 (E_RNA)
where:
Base-Base interactions energy: -240.073
where: short stacking energy: -97.632
Base-Backbone interact. energy: -0.922
local terms energy: -103.129787
where:
bonds (distance) C4'-P energy: -20.174
bonds (distance) P-C4' energy: -21.716
flat angles C4'-P-C4' energy: -21.439
flat angles P-C4'-P energy: -16.387
tors. eta vs tors. theta energy: -23.413
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 457
Temperature: 1.050000
Total energy: -270.875636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.875636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.875636 (E_RNA)
where:
Base-Base interactions energy: -186.455
where: short stacking energy: -86.715
Base-Backbone interact. energy: -0.154
local terms energy: -84.266805
where:
bonds (distance) C4'-P energy: -15.932
bonds (distance) P-C4' energy: -17.973
flat angles C4'-P-C4' energy: -16.393
flat angles P-C4'-P energy: -13.365
tors. eta vs tors. theta energy: -20.604
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 457
Temperature: 1.100000
Total energy: -257.794073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.794073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.794073 (E_RNA)
where:
Base-Base interactions energy: -168.010
where: short stacking energy: -73.992
Base-Backbone interact. energy: -0.803
local terms energy: -88.980694
where:
bonds (distance) C4'-P energy: -19.708
bonds (distance) P-C4' energy: -18.275
flat angles C4'-P-C4' energy: -20.480
flat angles P-C4'-P energy: -12.355
tors. eta vs tors. theta energy: -18.162
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 457
Temperature: 1.150000
Total energy: -233.852032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.852032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.852032 (E_RNA)
where:
Base-Base interactions energy: -159.628
where: short stacking energy: -79.743
Base-Backbone interact. energy: -0.166
local terms energy: -74.058124
where:
bonds (distance) C4'-P energy: -12.620
bonds (distance) P-C4' energy: -19.173
flat angles C4'-P-C4' energy: -14.547
flat angles P-C4'-P energy: -13.256
tors. eta vs tors. theta energy: -14.462
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 457
Temperature: 1.200000
Total energy: -228.641997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.641997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.641997 (E_RNA)
where:
Base-Base interactions energy: -151.612
where: short stacking energy: -73.103
Base-Backbone interact. energy: 0.031
local terms energy: -77.061115
where:
bonds (distance) C4'-P energy: -15.422
bonds (distance) P-C4' energy: -12.029
flat angles C4'-P-C4' energy: -19.686
flat angles P-C4'-P energy: -12.432
tors. eta vs tors. theta energy: -17.492
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 457
Temperature: 1.250000
Total energy: -117.335934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.335934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.335934 (E_RNA)
where:
Base-Base interactions energy: -48.728
where: short stacking energy: -37.114
Base-Backbone interact. energy: -0.300
local terms energy: -68.308453
where:
bonds (distance) C4'-P energy: -16.873
bonds (distance) P-C4' energy: -19.228
flat angles C4'-P-C4' energy: -12.449
flat angles P-C4'-P energy: -8.969
tors. eta vs tors. theta energy: -10.789
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 457
Temperature: 1.300000
Total energy: -114.479618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.479618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.479618 (E_RNA)
where:
Base-Base interactions energy: -59.985
where: short stacking energy: -25.354
Base-Backbone interact. energy: -0.283
local terms energy: -54.212176
where:
bonds (distance) C4'-P energy: -13.164
bonds (distance) P-C4' energy: -16.145
flat angles C4'-P-C4' energy: -15.412
flat angles P-C4'-P energy: -10.403
tors. eta vs tors. theta energy: 0.913
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 457
Temperature: 1.350000
Total energy: -105.042106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.042106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.042106 (E_RNA)
where:
Base-Base interactions energy: -55.088
where: short stacking energy: -32.692
Base-Backbone interact. energy: 1.641
local terms energy: -51.595394
where:
bonds (distance) C4'-P energy: -15.141
bonds (distance) P-C4' energy: -18.125
flat angles C4'-P-C4' energy: -14.694
flat angles P-C4'-P energy: -0.844
tors. eta vs tors. theta energy: -2.792
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 458
Temperature: 0.900000
Total energy: -346.435178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.435178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.435178 (E_RNA)
where:
Base-Base interactions energy: -244.506
where: short stacking energy: -97.900
Base-Backbone interact. energy: -0.780
local terms energy: -101.149100
where:
bonds (distance) C4'-P energy: -21.736
bonds (distance) P-C4' energy: -19.750
flat angles C4'-P-C4' energy: -20.881
flat angles P-C4'-P energy: -13.624
tors. eta vs tors. theta energy: -25.158
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 458
Temperature: 0.950000
Total energy: -321.043915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.043915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.043915 (E_RNA)
where:
Base-Base interactions energy: -218.390
where: short stacking energy: -90.977
Base-Backbone interact. energy: 0.099
local terms energy: -102.752881
where:
bonds (distance) C4'-P energy: -19.658
bonds (distance) P-C4' energy: -19.171
flat angles C4'-P-C4' energy: -21.733
flat angles P-C4'-P energy: -15.020
tors. eta vs tors. theta energy: -27.171
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 458
Temperature: 1.000000
Total energy: -340.357666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.357666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.357666 (E_RNA)
where:
Base-Base interactions energy: -244.438
where: short stacking energy: -94.688
Base-Backbone interact. energy: -1.106
local terms energy: -94.814258
where:
bonds (distance) C4'-P energy: -17.464
bonds (distance) P-C4' energy: -21.449
flat angles C4'-P-C4' energy: -21.528
flat angles P-C4'-P energy: -15.113
tors. eta vs tors. theta energy: -19.260
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 458
Temperature: 1.050000
Total energy: -260.275744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.275744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.275744 (E_RNA)
where:
Base-Base interactions energy: -169.730
where: short stacking energy: -76.577
Base-Backbone interact. energy: -0.548
local terms energy: -89.997884
where:
bonds (distance) C4'-P energy: -19.492
bonds (distance) P-C4' energy: -12.127
flat angles C4'-P-C4' energy: -23.106
flat angles P-C4'-P energy: -15.848
tors. eta vs tors. theta energy: -19.425
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 458
Temperature: 1.100000
Total energy: -253.057968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.057968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.057968 (E_RNA)
where:
Base-Base interactions energy: -166.368
where: short stacking energy: -68.697
Base-Backbone interact. energy: -0.611
local terms energy: -86.079095
where:
bonds (distance) C4'-P energy: -18.669
bonds (distance) P-C4' energy: -17.744
flat angles C4'-P-C4' energy: -22.412
flat angles P-C4'-P energy: -13.993
tors. eta vs tors. theta energy: -13.261
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 458
Temperature: 1.150000
Total energy: -236.481502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.481502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.481502 (E_RNA)
where:
Base-Base interactions energy: -148.820
where: short stacking energy: -70.219
Base-Backbone interact. energy: -0.066
local terms energy: -87.595488
where:
bonds (distance) C4'-P energy: -18.596
bonds (distance) P-C4' energy: -17.965
flat angles C4'-P-C4' energy: -19.940
flat angles P-C4'-P energy: -14.856
tors. eta vs tors. theta energy: -16.238
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 458
Temperature: 1.200000
Total energy: -128.121853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.121853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.121853 (E_RNA)
where:
Base-Base interactions energy: -57.957
where: short stacking energy: -43.492
Base-Backbone interact. energy: 0.120
local terms energy: -70.284865
where:
bonds (distance) C4'-P energy: -13.812
bonds (distance) P-C4' energy: -24.392
flat angles C4'-P-C4' energy: -19.717
flat angles P-C4'-P energy: -8.438
tors. eta vs tors. theta energy: -3.925
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 458
Temperature: 1.250000
Total energy: -225.240322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.240322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.240322 (E_RNA)
where:
Base-Base interactions energy: -154.664
where: short stacking energy: -62.285
Base-Backbone interact. energy: -0.207
local terms energy: -70.369102
where:
bonds (distance) C4'-P energy: -12.216
bonds (distance) P-C4' energy: -11.553
flat angles C4'-P-C4' energy: -18.595
flat angles P-C4'-P energy: -12.327
tors. eta vs tors. theta energy: -15.678
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 458
Temperature: 1.300000
Total energy: -117.250793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.250793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.250793 (E_RNA)
where:
Base-Base interactions energy: -60.114
where: short stacking energy: -36.684
Base-Backbone interact. energy: 3.710
local terms energy: -60.847640
where:
bonds (distance) C4'-P energy: -17.519
bonds (distance) P-C4' energy: -16.846
flat angles C4'-P-C4' energy: -14.936
flat angles P-C4'-P energy: -10.020
tors. eta vs tors. theta energy: -1.527
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 458
Temperature: 1.350000
Total energy: -109.854788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.854788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.854788 (E_RNA)
where:
Base-Base interactions energy: -41.935
where: short stacking energy: -38.652
Base-Backbone interact. energy: 0.119
local terms energy: -68.038577
where:
bonds (distance) C4'-P energy: -20.398
bonds (distance) P-C4' energy: -19.064
flat angles C4'-P-C4' energy: -19.461
flat angles P-C4'-P energy: -6.463
tors. eta vs tors. theta energy: -2.653
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 459
Temperature: 0.900000
Total energy: -353.332934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.332934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.332934 (E_RNA)
where:
Base-Base interactions energy: -264.136
where: short stacking energy: -104.527
Base-Backbone interact. energy: -0.514
local terms energy: -88.682830
where:
bonds (distance) C4'-P energy: -18.689
bonds (distance) P-C4' energy: -20.091
flat angles C4'-P-C4' energy: -15.212
flat angles P-C4'-P energy: -11.267
tors. eta vs tors. theta energy: -23.423
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 459
Temperature: 0.950000
Total energy: -346.973558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.973558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.973558 (E_RNA)
where:
Base-Base interactions energy: -248.864
where: short stacking energy: -97.379
Base-Backbone interact. energy: 0.832
local terms energy: -98.941343
where:
bonds (distance) C4'-P energy: -18.905
bonds (distance) P-C4' energy: -17.562
flat angles C4'-P-C4' energy: -22.172
flat angles P-C4'-P energy: -14.785
tors. eta vs tors. theta energy: -25.517
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 459
Temperature: 1.000000
Total energy: -319.851438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.851438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.851438 (E_RNA)
where:
Base-Base interactions energy: -220.368
where: short stacking energy: -106.436
Base-Backbone interact. energy: -1.559
local terms energy: -97.924602
where:
bonds (distance) C4'-P energy: -17.650
bonds (distance) P-C4' energy: -19.129
flat angles C4'-P-C4' energy: -22.048
flat angles P-C4'-P energy: -12.774
tors. eta vs tors. theta energy: -26.324
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 459
Temperature: 1.050000
Total energy: -257.742321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.742321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.742321 (E_RNA)
where:
Base-Base interactions energy: -167.855
where: short stacking energy: -70.246
Base-Backbone interact. energy: -0.191
local terms energy: -89.695747
where:
bonds (distance) C4'-P energy: -18.474
bonds (distance) P-C4' energy: -21.105
flat angles C4'-P-C4' energy: -18.879
flat angles P-C4'-P energy: -14.945
tors. eta vs tors. theta energy: -16.292
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 459
Temperature: 1.100000
Total energy: -271.942408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.942408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.942408 (E_RNA)
where:
Base-Base interactions energy: -189.166
where: short stacking energy: -86.840
Base-Backbone interact. energy: -0.520
local terms energy: -82.257030
where:
bonds (distance) C4'-P energy: -16.478
bonds (distance) P-C4' energy: -21.297
flat angles C4'-P-C4' energy: -14.894
flat angles P-C4'-P energy: -9.246
tors. eta vs tors. theta energy: -20.341
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 459
Temperature: 1.150000
Total energy: -241.103307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.103307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.103307 (E_RNA)
where:
Base-Base interactions energy: -170.507
where: short stacking energy: -59.838
Base-Backbone interact. energy: -0.617
local terms energy: -69.979507
where:
bonds (distance) C4'-P energy: -17.144
bonds (distance) P-C4' energy: -15.685
flat angles C4'-P-C4' energy: -17.305
flat angles P-C4'-P energy: -8.659
tors. eta vs tors. theta energy: -11.187
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 459
Temperature: 1.200000
Total energy: -191.143294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.143294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.143294 (E_RNA)
where:
Base-Base interactions energy: -124.173
where: short stacking energy: -57.110
Base-Backbone interact. energy: -0.371
local terms energy: -66.599285
where:
bonds (distance) C4'-P energy: -17.740
bonds (distance) P-C4' energy: -16.030
flat angles C4'-P-C4' energy: -17.596
flat angles P-C4'-P energy: -7.442
tors. eta vs tors. theta energy: -7.791
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 459
Temperature: 1.250000
Total energy: -246.957370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.957370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.957370 (E_RNA)
where:
Base-Base interactions energy: -167.259
where: short stacking energy: -80.166
Base-Backbone interact. energy: 0.655
local terms energy: -80.353032
where:
bonds (distance) C4'-P energy: -12.321
bonds (distance) P-C4' energy: -19.094
flat angles C4'-P-C4' energy: -16.933
flat angles P-C4'-P energy: -12.152
tors. eta vs tors. theta energy: -19.853
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 459
Temperature: 1.300000
Total energy: -112.929186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.929186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.929186 (E_RNA)
where:
Base-Base interactions energy: -64.387
where: short stacking energy: -54.740
Base-Backbone interact. energy: -0.091
local terms energy: -48.451075
where:
bonds (distance) C4'-P energy: -16.418
bonds (distance) P-C4' energy: -13.413
flat angles C4'-P-C4' energy: -14.380
flat angles P-C4'-P energy: -4.142
tors. eta vs tors. theta energy: -0.099
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 459
Temperature: 1.350000
Total energy: -97.877740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.877740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.877740 (E_RNA)
where:
Base-Base interactions energy: -37.139
where: short stacking energy: -34.088
Base-Backbone interact. energy: -0.182
local terms energy: -60.556845
where:
bonds (distance) C4'-P energy: -19.393
bonds (distance) P-C4' energy: -12.487
flat angles C4'-P-C4' energy: -21.043
flat angles P-C4'-P energy: -8.537
tors. eta vs tors. theta energy: 0.903
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 460
Temperature: 0.900000
Total energy: -340.389258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.389258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.389258 (E_RNA)
where:
Base-Base interactions energy: -247.079
where: short stacking energy: -95.923
Base-Backbone interact. energy: -0.464
local terms energy: -92.846882
where:
bonds (distance) C4'-P energy: -15.767
bonds (distance) P-C4' energy: -16.877
flat angles C4'-P-C4' energy: -19.796
flat angles P-C4'-P energy: -16.948
tors. eta vs tors. theta energy: -23.459
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 460
Temperature: 0.950000
Total energy: -346.434245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.434245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.434245 (E_RNA)
where:
Base-Base interactions energy: -246.640
where: short stacking energy: -101.873
Base-Backbone interact. energy: -0.250
local terms energy: -99.543641
where:
bonds (distance) C4'-P energy: -18.888
bonds (distance) P-C4' energy: -19.808
flat angles C4'-P-C4' energy: -23.199
flat angles P-C4'-P energy: -15.611
tors. eta vs tors. theta energy: -22.039
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 460
Temperature: 1.000000
Total energy: -275.667256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.667256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.667256 (E_RNA)
where:
Base-Base interactions energy: -189.186
where: short stacking energy: -85.860
Base-Backbone interact. energy: 0.358
local terms energy: -86.839098
where:
bonds (distance) C4'-P energy: -20.193
bonds (distance) P-C4' energy: -15.192
flat angles C4'-P-C4' energy: -19.830
flat angles P-C4'-P energy: -13.749
tors. eta vs tors. theta energy: -17.877
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 460
Temperature: 1.050000
Total energy: -310.563493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.563493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.563493 (E_RNA)
where:
Base-Base interactions energy: -205.333
where: short stacking energy: -91.174
Base-Backbone interact. energy: -0.848
local terms energy: -104.382043
where:
bonds (distance) C4'-P energy: -19.951
bonds (distance) P-C4' energy: -21.611
flat angles C4'-P-C4' energy: -17.453
flat angles P-C4'-P energy: -17.483
tors. eta vs tors. theta energy: -27.884
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 460
Temperature: 1.100000
Total energy: -240.299334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.299334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.299334 (E_RNA)
where:
Base-Base interactions energy: -154.716
where: short stacking energy: -77.704
Base-Backbone interact. energy: -0.241
local terms energy: -85.342242
where:
bonds (distance) C4'-P energy: -14.103
bonds (distance) P-C4' energy: -19.436
flat angles C4'-P-C4' energy: -23.612
flat angles P-C4'-P energy: -13.549
tors. eta vs tors. theta energy: -14.642
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 460
Temperature: 1.150000
Total energy: -259.237740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.237740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.237740 (E_RNA)
where:
Base-Base interactions energy: -185.530
where: short stacking energy: -68.975
Base-Backbone interact. energy: -0.352
local terms energy: -73.355786
where:
bonds (distance) C4'-P energy: -8.988
bonds (distance) P-C4' energy: -21.299
flat angles C4'-P-C4' energy: -18.003
flat angles P-C4'-P energy: -14.773
tors. eta vs tors. theta energy: -10.292
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 460
Temperature: 1.200000
Total energy: -226.551930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.551930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.551930 (E_RNA)
where:
Base-Base interactions energy: -152.281
where: short stacking energy: -70.625
Base-Backbone interact. energy: 0.702
local terms energy: -74.973240
where:
bonds (distance) C4'-P energy: -15.265
bonds (distance) P-C4' energy: -17.846
flat angles C4'-P-C4' energy: -21.440
flat angles P-C4'-P energy: -5.394
tors. eta vs tors. theta energy: -15.028
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 460
Temperature: 1.250000
Total energy: -225.714090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.714090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.714090 (E_RNA)
where:
Base-Base interactions energy: -151.581
where: short stacking energy: -77.855
Base-Backbone interact. energy: -0.059
local terms energy: -74.073852
where:
bonds (distance) C4'-P energy: -14.914
bonds (distance) P-C4' energy: -16.609
flat angles C4'-P-C4' energy: -21.717
flat angles P-C4'-P energy: -5.294
tors. eta vs tors. theta energy: -15.540
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 460
Temperature: 1.300000
Total energy: -106.274465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.274465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.274465 (E_RNA)
where:
Base-Base interactions energy: -61.469
where: short stacking energy: -36.402
Base-Backbone interact. energy: -0.512
local terms energy: -44.293299
where:
bonds (distance) C4'-P energy: -17.949
bonds (distance) P-C4' energy: -11.696
flat angles C4'-P-C4' energy: -9.169
flat angles P-C4'-P energy: -4.431
tors. eta vs tors. theta energy: -1.048
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 460
Temperature: 1.350000
Total energy: -109.716703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.716703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.716703 (E_RNA)
where:
Base-Base interactions energy: -45.144
where: short stacking energy: -41.210
Base-Backbone interact. energy: 0.140
local terms energy: -64.712869
where:
bonds (distance) C4'-P energy: -13.788
bonds (distance) P-C4' energy: -16.975
flat angles C4'-P-C4' energy: -17.157
flat angles P-C4'-P energy: -9.021
tors. eta vs tors. theta energy: -7.771
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 461
Temperature: 0.900000
Total energy: -349.080130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.080130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.080130 (E_RNA)
where:
Base-Base interactions energy: -250.833
where: short stacking energy: -98.087
Base-Backbone interact. energy: -0.336
local terms energy: -97.911982
where:
bonds (distance) C4'-P energy: -18.196
bonds (distance) P-C4' energy: -18.931
flat angles C4'-P-C4' energy: -25.207
flat angles P-C4'-P energy: -13.169
tors. eta vs tors. theta energy: -22.410
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 461
Temperature: 0.950000
Total energy: -343.899213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.899213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.899213 (E_RNA)
where:
Base-Base interactions energy: -253.491
where: short stacking energy: -95.271
Base-Backbone interact. energy: -1.008
local terms energy: -89.400091
where:
bonds (distance) C4'-P energy: -20.263
bonds (distance) P-C4' energy: -16.839
flat angles C4'-P-C4' energy: -18.814
flat angles P-C4'-P energy: -13.870
tors. eta vs tors. theta energy: -19.615
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 461
Temperature: 1.000000
Total energy: -282.726361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.726361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.726361 (E_RNA)
where:
Base-Base interactions energy: -196.588
where: short stacking energy: -90.042
Base-Backbone interact. energy: -0.502
local terms energy: -85.636352
where:
bonds (distance) C4'-P energy: -14.123
bonds (distance) P-C4' energy: -19.498
flat angles C4'-P-C4' energy: -19.487
flat angles P-C4'-P energy: -11.443
tors. eta vs tors. theta energy: -21.085
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 461
Temperature: 1.050000
Total energy: -301.935606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.935606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.935606 (E_RNA)
where:
Base-Base interactions energy: -208.383
where: short stacking energy: -90.133
Base-Backbone interact. energy: -0.423
local terms energy: -93.129389
where:
bonds (distance) C4'-P energy: -18.222
bonds (distance) P-C4' energy: -18.618
flat angles C4'-P-C4' energy: -20.611
flat angles P-C4'-P energy: -12.907
tors. eta vs tors. theta energy: -22.771
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 461
Temperature: 1.100000
Total energy: -261.027975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.027975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.027975 (E_RNA)
where:
Base-Base interactions energy: -167.007
where: short stacking energy: -88.770
Base-Backbone interact. energy: -0.380
local terms energy: -93.640459
where:
bonds (distance) C4'-P energy: -17.048
bonds (distance) P-C4' energy: -19.054
flat angles C4'-P-C4' energy: -21.610
flat angles P-C4'-P energy: -10.645
tors. eta vs tors. theta energy: -25.283
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 461
Temperature: 1.150000
Total energy: -249.275492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.275492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.275492 (E_RNA)
where:
Base-Base interactions energy: -160.116
where: short stacking energy: -71.252
Base-Backbone interact. energy: -1.607
local terms energy: -87.553044
where:
bonds (distance) C4'-P energy: -17.992
bonds (distance) P-C4' energy: -18.258
flat angles C4'-P-C4' energy: -20.502
flat angles P-C4'-P energy: -10.251
tors. eta vs tors. theta energy: -20.550
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 461
Temperature: 1.200000
Total energy: -259.132477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.132477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.132477 (E_RNA)
where:
Base-Base interactions energy: -180.529
where: short stacking energy: -73.934
Base-Backbone interact. energy: -0.285
local terms energy: -78.319051
where:
bonds (distance) C4'-P energy: -18.172
bonds (distance) P-C4' energy: -16.610
flat angles C4'-P-C4' energy: -14.704
flat angles P-C4'-P energy: -8.917
tors. eta vs tors. theta energy: -19.916
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 461
Temperature: 1.250000
Total energy: -227.904645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.904645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.904645 (E_RNA)
where:
Base-Base interactions energy: -157.535
where: short stacking energy: -62.867
Base-Backbone interact. energy: -0.194
local terms energy: -70.176154
where:
bonds (distance) C4'-P energy: -8.063
bonds (distance) P-C4' energy: -18.495
flat angles C4'-P-C4' energy: -15.400
flat angles P-C4'-P energy: -16.911
tors. eta vs tors. theta energy: -11.306
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 461
Temperature: 1.300000
Total energy: -104.761123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.761123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.761123 (E_RNA)
where:
Base-Base interactions energy: -48.705
where: short stacking energy: -42.078
Base-Backbone interact. energy: -0.394
local terms energy: -55.662307
where:
bonds (distance) C4'-P energy: -15.288
bonds (distance) P-C4' energy: -15.364
flat angles C4'-P-C4' energy: -12.049
flat angles P-C4'-P energy: -11.635
tors. eta vs tors. theta energy: -1.327
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 461
Temperature: 1.350000
Total energy: -108.592196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.592196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.592196 (E_RNA)
where:
Base-Base interactions energy: -40.489
where: short stacking energy: -40.489
Base-Backbone interact. energy: -0.272
local terms energy: -67.831568
where:
bonds (distance) C4'-P energy: -16.185
bonds (distance) P-C4' energy: -15.390
flat angles C4'-P-C4' energy: -12.721
flat angles P-C4'-P energy: -13.684
tors. eta vs tors. theta energy: -9.852
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 462
Temperature: 0.900000
Total energy: -345.129966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.129966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.129966 (E_RNA)
where:
Base-Base interactions energy: -250.805
where: short stacking energy: -96.668
Base-Backbone interact. energy: -0.076
local terms energy: -94.248089
where:
bonds (distance) C4'-P energy: -17.094
bonds (distance) P-C4' energy: -20.551
flat angles C4'-P-C4' energy: -19.480
flat angles P-C4'-P energy: -12.625
tors. eta vs tors. theta energy: -24.498
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 462
Temperature: 0.950000
Total energy: -341.507066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.507066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.507066 (E_RNA)
where:
Base-Base interactions energy: -241.124
where: short stacking energy: -92.455
Base-Backbone interact. energy: -0.590
local terms energy: -99.793373
where:
bonds (distance) C4'-P energy: -17.315
bonds (distance) P-C4' energy: -22.585
flat angles C4'-P-C4' energy: -21.892
flat angles P-C4'-P energy: -15.223
tors. eta vs tors. theta energy: -22.779
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 462
Temperature: 1.000000
Total energy: -318.355288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.355288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.355288 (E_RNA)
where:
Base-Base interactions energy: -222.816
where: short stacking energy: -103.308
Base-Backbone interact. energy: -0.523
local terms energy: -95.016221
where:
bonds (distance) C4'-P energy: -18.465
bonds (distance) P-C4' energy: -16.848
flat angles C4'-P-C4' energy: -21.393
flat angles P-C4'-P energy: -11.560
tors. eta vs tors. theta energy: -26.750
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 462
Temperature: 1.050000
Total energy: -285.998122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.998122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.998122 (E_RNA)
where:
Base-Base interactions energy: -190.410
where: short stacking energy: -77.893
Base-Backbone interact. energy: -1.334
local terms energy: -94.254465
where:
bonds (distance) C4'-P energy: -20.900
bonds (distance) P-C4' energy: -20.091
flat angles C4'-P-C4' energy: -20.173
flat angles P-C4'-P energy: -11.857
tors. eta vs tors. theta energy: -21.233
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 462
Temperature: 1.100000
Total energy: -248.159191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.159191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.159191 (E_RNA)
where:
Base-Base interactions energy: -150.944
where: short stacking energy: -66.798
Base-Backbone interact. energy: -0.120
local terms energy: -97.094481
where:
bonds (distance) C4'-P energy: -19.046
bonds (distance) P-C4' energy: -18.918
flat angles C4'-P-C4' energy: -19.769
flat angles P-C4'-P energy: -15.880
tors. eta vs tors. theta energy: -23.482
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 462
Temperature: 1.150000
Total energy: -254.092930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.092930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.092930 (E_RNA)
where:
Base-Base interactions energy: -165.287
where: short stacking energy: -70.811
Base-Backbone interact. energy: -0.057
local terms energy: -88.748804
where:
bonds (distance) C4'-P energy: -20.341
bonds (distance) P-C4' energy: -22.487
flat angles C4'-P-C4' energy: -17.719
flat angles P-C4'-P energy: -14.409
tors. eta vs tors. theta energy: -13.793
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 462
Temperature: 1.200000
Total energy: -263.561646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.561646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.561646 (E_RNA)
where:
Base-Base interactions energy: -181.418
where: short stacking energy: -73.610
Base-Backbone interact. energy: -0.674
local terms energy: -81.469472
where:
bonds (distance) C4'-P energy: -16.743
bonds (distance) P-C4' energy: -18.097
flat angles C4'-P-C4' energy: -21.284
flat angles P-C4'-P energy: -7.392
tors. eta vs tors. theta energy: -17.954
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 462
Temperature: 1.250000
Total energy: -222.775180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.775180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.775180 (E_RNA)
where:
Base-Base interactions energy: -143.522
where: short stacking energy: -70.747
Base-Backbone interact. energy: -0.043
local terms energy: -79.210040
where:
bonds (distance) C4'-P energy: -13.448
bonds (distance) P-C4' energy: -18.544
flat angles C4'-P-C4' energy: -20.861
flat angles P-C4'-P energy: -7.595
tors. eta vs tors. theta energy: -18.763
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 462
Temperature: 1.300000
Total energy: -109.406351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.406351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.406351 (E_RNA)
where:
Base-Base interactions energy: -43.522
where: short stacking energy: -43.329
Base-Backbone interact. energy: 0.088
local terms energy: -65.971805
where:
bonds (distance) C4'-P energy: -16.901
bonds (distance) P-C4' energy: -19.416
flat angles C4'-P-C4' energy: -11.815
flat angles P-C4'-P energy: -15.022
tors. eta vs tors. theta energy: -2.818
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 462
Temperature: 1.350000
Total energy: -104.043238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.043238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.043238 (E_RNA)
where:
Base-Base interactions energy: -44.949
where: short stacking energy: -40.703
Base-Backbone interact. energy: -0.215
local terms energy: -58.878919
where:
bonds (distance) C4'-P energy: -14.385
bonds (distance) P-C4' energy: -18.873
flat angles C4'-P-C4' energy: -9.657
flat angles P-C4'-P energy: -8.228
tors. eta vs tors. theta energy: -7.737
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 463
Temperature: 0.900000
Total energy: -347.959653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.959653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.959653 (E_RNA)
where:
Base-Base interactions energy: -249.852
where: short stacking energy: -104.297
Base-Backbone interact. energy: -0.218
local terms energy: -97.889445
where:
bonds (distance) C4'-P energy: -20.138
bonds (distance) P-C4' energy: -18.932
flat angles C4'-P-C4' energy: -19.569
flat angles P-C4'-P energy: -14.531
tors. eta vs tors. theta energy: -24.719
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 463
Temperature: 0.950000
Total energy: -341.575844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.575844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.575844 (E_RNA)
where:
Base-Base interactions energy: -247.054
where: short stacking energy: -101.885
Base-Backbone interact. energy: 0.043
local terms energy: -94.564129
where:
bonds (distance) C4'-P energy: -18.069
bonds (distance) P-C4' energy: -19.887
flat angles C4'-P-C4' energy: -17.084
flat angles P-C4'-P energy: -13.854
tors. eta vs tors. theta energy: -25.670
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 463
Temperature: 1.000000
Total energy: -320.303857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.303857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.303857 (E_RNA)
where:
Base-Base interactions energy: -227.249
where: short stacking energy: -98.126
Base-Backbone interact. energy: -0.612
local terms energy: -92.442316
where:
bonds (distance) C4'-P energy: -16.205
bonds (distance) P-C4' energy: -20.277
flat angles C4'-P-C4' energy: -17.534
flat angles P-C4'-P energy: -9.996
tors. eta vs tors. theta energy: -28.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 463
Temperature: 1.050000
Total energy: -259.718241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.718241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.718241 (E_RNA)
where:
Base-Base interactions energy: -175.448
where: short stacking energy: -77.314
Base-Backbone interact. energy: -0.217
local terms energy: -84.053095
where:
bonds (distance) C4'-P energy: -13.612
bonds (distance) P-C4' energy: -20.263
flat angles C4'-P-C4' energy: -19.858
flat angles P-C4'-P energy: -12.419
tors. eta vs tors. theta energy: -17.901
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 463
Temperature: 1.100000
Total energy: -283.836908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.836908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.836908 (E_RNA)
where:
Base-Base interactions energy: -192.330
where: short stacking energy: -84.460
Base-Backbone interact. energy: -1.332
local terms energy: -90.174486
where:
bonds (distance) C4'-P energy: -18.258
bonds (distance) P-C4' energy: -18.626
flat angles C4'-P-C4' energy: -19.970
flat angles P-C4'-P energy: -10.058
tors. eta vs tors. theta energy: -23.261
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 463
Temperature: 1.150000
Total energy: -247.399444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.399444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.399444 (E_RNA)
where:
Base-Base interactions energy: -165.514
where: short stacking energy: -69.755
Base-Backbone interact. energy: -0.231
local terms energy: -81.654323
where:
bonds (distance) C4'-P energy: -17.418
bonds (distance) P-C4' energy: -20.087
flat angles C4'-P-C4' energy: -15.884
flat angles P-C4'-P energy: -14.339
tors. eta vs tors. theta energy: -13.926
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 463
Temperature: 1.200000
Total energy: -229.111460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.111460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.111460 (E_RNA)
where:
Base-Base interactions energy: -156.528
where: short stacking energy: -69.301
Base-Backbone interact. energy: -0.956
local terms energy: -71.626875
where:
bonds (distance) C4'-P energy: -16.051
bonds (distance) P-C4' energy: -19.337
flat angles C4'-P-C4' energy: -18.752
flat angles P-C4'-P energy: -9.045
tors. eta vs tors. theta energy: -8.442
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 463
Temperature: 1.250000
Total energy: -227.096869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.096869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.096869 (E_RNA)
where:
Base-Base interactions energy: -149.367
where: short stacking energy: -63.884
Base-Backbone interact. energy: -0.210
local terms energy: -77.519698
where:
bonds (distance) C4'-P energy: -18.834
bonds (distance) P-C4' energy: -15.181
flat angles C4'-P-C4' energy: -15.609
flat angles P-C4'-P energy: -13.946
tors. eta vs tors. theta energy: -13.950
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 463
Temperature: 1.300000
Total energy: -101.672998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.672998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.672998 (E_RNA)
where:
Base-Base interactions energy: -41.510
where: short stacking energy: -32.075
Base-Backbone interact. energy: -0.247
local terms energy: -59.916349
where:
bonds (distance) C4'-P energy: -16.901
bonds (distance) P-C4' energy: -19.488
flat angles C4'-P-C4' energy: -16.206
flat angles P-C4'-P energy: -10.259
tors. eta vs tors. theta energy: 2.938
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 463
Temperature: 1.350000
Total energy: -101.477115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.477115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.477115 (E_RNA)
where:
Base-Base interactions energy: -40.507
where: short stacking energy: -40.507
Base-Backbone interact. energy: -0.650
local terms energy: -60.319915
where:
bonds (distance) C4'-P energy: -14.587
bonds (distance) P-C4' energy: -10.851
flat angles C4'-P-C4' energy: -20.630
flat angles P-C4'-P energy: -5.634
tors. eta vs tors. theta energy: -8.617
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 464
Temperature: 0.900000
Total energy: -350.146928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.146928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.146928 (E_RNA)
where:
Base-Base interactions energy: -255.096
where: short stacking energy: -96.316
Base-Backbone interact. energy: 0.573
local terms energy: -95.623862
where:
bonds (distance) C4'-P energy: -14.847
bonds (distance) P-C4' energy: -22.783
flat angles C4'-P-C4' energy: -19.729
flat angles P-C4'-P energy: -13.679
tors. eta vs tors. theta energy: -24.585
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 464
Temperature: 0.950000
Total energy: -334.452615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.452615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.452615 (E_RNA)
where:
Base-Base interactions energy: -241.954
where: short stacking energy: -90.916
Base-Backbone interact. energy: -1.051
local terms energy: -91.447318
where:
bonds (distance) C4'-P energy: -19.264
bonds (distance) P-C4' energy: -19.923
flat angles C4'-P-C4' energy: -18.735
flat angles P-C4'-P energy: -12.653
tors. eta vs tors. theta energy: -20.873
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 464
Temperature: 1.000000
Total energy: -320.253499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.253499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.253499 (E_RNA)
where:
Base-Base interactions energy: -221.674
where: short stacking energy: -88.138
Base-Backbone interact. energy: -0.941
local terms energy: -97.638408
where:
bonds (distance) C4'-P energy: -20.362
bonds (distance) P-C4' energy: -20.433
flat angles C4'-P-C4' energy: -20.055
flat angles P-C4'-P energy: -12.434
tors. eta vs tors. theta energy: -24.354
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 464
Temperature: 1.050000
Total energy: -267.772669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.772669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.772669 (E_RNA)
where:
Base-Base interactions energy: -173.049
where: short stacking energy: -82.036
Base-Backbone interact. energy: -0.003
local terms energy: -94.721105
where:
bonds (distance) C4'-P energy: -22.378
bonds (distance) P-C4' energy: -15.572
flat angles C4'-P-C4' energy: -21.989
flat angles P-C4'-P energy: -13.422
tors. eta vs tors. theta energy: -21.360
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 464
Temperature: 1.100000
Total energy: -271.462593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.462593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.462593 (E_RNA)
where:
Base-Base interactions energy: -191.135
where: short stacking energy: -77.422
Base-Backbone interact. energy: -0.500
local terms energy: -79.827350
where:
bonds (distance) C4'-P energy: -15.469
bonds (distance) P-C4' energy: -19.115
flat angles C4'-P-C4' energy: -15.622
flat angles P-C4'-P energy: -12.584
tors. eta vs tors. theta energy: -17.037
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 464
Temperature: 1.150000
Total energy: -258.350142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.350142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.350142 (E_RNA)
where:
Base-Base interactions energy: -176.210
where: short stacking energy: -77.406
Base-Backbone interact. energy: 1.249
local terms energy: -83.388876
where:
bonds (distance) C4'-P energy: -16.950
bonds (distance) P-C4' energy: -14.365
flat angles C4'-P-C4' energy: -16.863
flat angles P-C4'-P energy: -15.323
tors. eta vs tors. theta energy: -19.888
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 464
Temperature: 1.200000
Total energy: -225.700936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.700936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.700936 (E_RNA)
where:
Base-Base interactions energy: -145.428
where: short stacking energy: -79.556
Base-Backbone interact. energy: -0.033
local terms energy: -80.239562
where:
bonds (distance) C4'-P energy: -20.312
bonds (distance) P-C4' energy: -19.268
flat angles C4'-P-C4' energy: -12.834
flat angles P-C4'-P energy: -7.952
tors. eta vs tors. theta energy: -19.874
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 464
Temperature: 1.250000
Total energy: -220.207523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.207523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.207523 (E_RNA)
where:
Base-Base interactions energy: -152.296
where: short stacking energy: -64.198
Base-Backbone interact. energy: -0.388
local terms energy: -67.523907
where:
bonds (distance) C4'-P energy: -8.800
bonds (distance) P-C4' energy: -14.949
flat angles C4'-P-C4' energy: -18.687
flat angles P-C4'-P energy: -6.674
tors. eta vs tors. theta energy: -18.413
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 464
Temperature: 1.300000
Total energy: -116.682887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.682887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.682887 (E_RNA)
where:
Base-Base interactions energy: -48.684
where: short stacking energy: -45.586
Base-Backbone interact. energy: -0.017
local terms energy: -67.982096
where:
bonds (distance) C4'-P energy: -16.760
bonds (distance) P-C4' energy: -16.934
flat angles C4'-P-C4' energy: -14.714
flat angles P-C4'-P energy: -11.749
tors. eta vs tors. theta energy: -7.824
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 464
Temperature: 1.350000
Total energy: -105.484823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.484823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.484823 (E_RNA)
where:
Base-Base interactions energy: -49.845
where: short stacking energy: -25.357
Base-Backbone interact. energy: -0.388
local terms energy: -55.251247
where:
bonds (distance) C4'-P energy: -12.869
bonds (distance) P-C4' energy: -12.228
flat angles C4'-P-C4' energy: -19.366
flat angles P-C4'-P energy: -8.721
tors. eta vs tors. theta energy: -2.065
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 465
Temperature: 0.900000
Total energy: -343.259928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.259928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.259928 (E_RNA)
where:
Base-Base interactions energy: -249.179
where: short stacking energy: -97.481
Base-Backbone interact. energy: -0.391
local terms energy: -93.689569
where:
bonds (distance) C4'-P energy: -14.958
bonds (distance) P-C4' energy: -22.137
flat angles C4'-P-C4' energy: -21.903
flat angles P-C4'-P energy: -13.153
tors. eta vs tors. theta energy: -21.539
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 465
Temperature: 0.950000
Total energy: -339.901993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.901993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.901993 (E_RNA)
where:
Base-Base interactions energy: -236.896
where: short stacking energy: -100.238
Base-Backbone interact. energy: -0.428
local terms energy: -102.577947
where:
bonds (distance) C4'-P energy: -21.370
bonds (distance) P-C4' energy: -21.080
flat angles C4'-P-C4' energy: -21.000
flat angles P-C4'-P energy: -14.399
tors. eta vs tors. theta energy: -24.728
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 465
Temperature: 1.000000
Total energy: -317.060502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.060502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.060502 (E_RNA)
where:
Base-Base interactions energy: -220.372
where: short stacking energy: -95.214
Base-Backbone interact. energy: -0.712
local terms energy: -95.977173
where:
bonds (distance) C4'-P energy: -19.806
bonds (distance) P-C4' energy: -17.558
flat angles C4'-P-C4' energy: -20.442
flat angles P-C4'-P energy: -15.061
tors. eta vs tors. theta energy: -23.109
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 465
Temperature: 1.050000
Total energy: -279.147640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.147640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.147640 (E_RNA)
where:
Base-Base interactions energy: -188.371
where: short stacking energy: -80.348
Base-Backbone interact. energy: -0.203
local terms energy: -90.573757
where:
bonds (distance) C4'-P energy: -20.262
bonds (distance) P-C4' energy: -21.370
flat angles C4'-P-C4' energy: -17.081
flat angles P-C4'-P energy: -13.052
tors. eta vs tors. theta energy: -18.808
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 465
Temperature: 1.100000
Total energy: -262.958313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.958313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.958313 (E_RNA)
where:
Base-Base interactions energy: -186.709
where: short stacking energy: -83.110
Base-Backbone interact. energy: -0.082
local terms energy: -76.166955
where:
bonds (distance) C4'-P energy: -17.357
bonds (distance) P-C4' energy: -10.399
flat angles C4'-P-C4' energy: -21.305
flat angles P-C4'-P energy: -12.504
tors. eta vs tors. theta energy: -14.604
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 465
Temperature: 1.150000
Total energy: -242.660740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.660740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.660740 (E_RNA)
where:
Base-Base interactions energy: -154.251
where: short stacking energy: -80.531
Base-Backbone interact. energy: 3.428
local terms energy: -91.838212
where:
bonds (distance) C4'-P energy: -20.800
bonds (distance) P-C4' energy: -20.750
flat angles C4'-P-C4' energy: -18.844
flat angles P-C4'-P energy: -12.162
tors. eta vs tors. theta energy: -19.282
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 465
Temperature: 1.200000
Total energy: -230.265778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.265778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.265778 (E_RNA)
where:
Base-Base interactions energy: -151.181
where: short stacking energy: -76.348
Base-Backbone interact. energy: -0.066
local terms energy: -79.019031
where:
bonds (distance) C4'-P energy: -13.959
bonds (distance) P-C4' energy: -17.479
flat angles C4'-P-C4' energy: -16.194
flat angles P-C4'-P energy: -15.898
tors. eta vs tors. theta energy: -15.489
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 465
Temperature: 1.250000
Total energy: -234.085409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.085409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.085409 (E_RNA)
where:
Base-Base interactions energy: -144.171
where: short stacking energy: -68.327
Base-Backbone interact. energy: -0.040
local terms energy: -89.873829
where:
bonds (distance) C4'-P energy: -21.980
bonds (distance) P-C4' energy: -17.822
flat angles C4'-P-C4' energy: -19.211
flat angles P-C4'-P energy: -14.722
tors. eta vs tors. theta energy: -16.138
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 465
Temperature: 1.300000
Total energy: -104.548399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.548399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.548399 (E_RNA)
where:
Base-Base interactions energy: -45.779
where: short stacking energy: -43.460
Base-Backbone interact. energy: -0.110
local terms energy: -58.659472
where:
bonds (distance) C4'-P energy: -13.732
bonds (distance) P-C4' energy: -11.820
flat angles C4'-P-C4' energy: -17.314
flat angles P-C4'-P energy: -9.655
tors. eta vs tors. theta energy: -6.139
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 465
Temperature: 1.350000
Total energy: -107.546569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.546569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.546569 (E_RNA)
where:
Base-Base interactions energy: -52.033
where: short stacking energy: -31.892
Base-Backbone interact. energy: -0.638
local terms energy: -54.874992
where:
bonds (distance) C4'-P energy: -12.443
bonds (distance) P-C4' energy: -18.003
flat angles C4'-P-C4' energy: -14.454
flat angles P-C4'-P energy: -8.071
tors. eta vs tors. theta energy: -1.905
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 466
Temperature: 0.900000
Total energy: -346.629915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.629915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.629915 (E_RNA)
where:
Base-Base interactions energy: -248.059
where: short stacking energy: -105.763
Base-Backbone interact. energy: -0.214
local terms energy: -98.356864
where:
bonds (distance) C4'-P energy: -14.439
bonds (distance) P-C4' energy: -21.480
flat angles C4'-P-C4' energy: -22.780
flat angles P-C4'-P energy: -14.664
tors. eta vs tors. theta energy: -24.995
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 466
Temperature: 0.950000
Total energy: -334.267184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.267184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.267184 (E_RNA)
where:
Base-Base interactions energy: -239.928
where: short stacking energy: -103.075
Base-Backbone interact. energy: -0.561
local terms energy: -93.777892
where:
bonds (distance) C4'-P energy: -16.869
bonds (distance) P-C4' energy: -17.839
flat angles C4'-P-C4' energy: -19.248
flat angles P-C4'-P energy: -14.986
tors. eta vs tors. theta energy: -24.836
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 466
Temperature: 1.000000
Total energy: -285.084097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.084097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.084097 (E_RNA)
where:
Base-Base interactions energy: -195.659
where: short stacking energy: -98.155
Base-Backbone interact. energy: -1.069
local terms energy: -88.356031
where:
bonds (distance) C4'-P energy: -18.668
bonds (distance) P-C4' energy: -17.671
flat angles C4'-P-C4' energy: -18.839
flat angles P-C4'-P energy: -11.990
tors. eta vs tors. theta energy: -21.188
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 466
Temperature: 1.050000
Total energy: -313.906670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.906670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.906670 (E_RNA)
where:
Base-Base interactions energy: -222.288
where: short stacking energy: -88.176
Base-Backbone interact. energy: -0.946
local terms energy: -90.672083
where:
bonds (distance) C4'-P energy: -18.018
bonds (distance) P-C4' energy: -12.946
flat angles C4'-P-C4' energy: -21.107
flat angles P-C4'-P energy: -15.159
tors. eta vs tors. theta energy: -23.443
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 466
Temperature: 1.100000
Total energy: -257.929513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.929513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.929513 (E_RNA)
where:
Base-Base interactions energy: -172.590
where: short stacking energy: -73.597
Base-Backbone interact. energy: -0.012
local terms energy: -85.327218
where:
bonds (distance) C4'-P energy: -20.130
bonds (distance) P-C4' energy: -17.283
flat angles C4'-P-C4' energy: -22.848
flat angles P-C4'-P energy: -12.259
tors. eta vs tors. theta energy: -12.807
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 466
Temperature: 1.150000
Total energy: -252.460163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.460163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.460163 (E_RNA)
where:
Base-Base interactions energy: -170.043
where: short stacking energy: -70.063
Base-Backbone interact. energy: -0.161
local terms energy: -82.256639
where:
bonds (distance) C4'-P energy: -17.858
bonds (distance) P-C4' energy: -15.830
flat angles C4'-P-C4' energy: -19.704
flat angles P-C4'-P energy: -13.331
tors. eta vs tors. theta energy: -15.533
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 466
Temperature: 1.200000
Total energy: -243.442590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.442590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.442590 (E_RNA)
where:
Base-Base interactions energy: -162.636
where: short stacking energy: -69.895
Base-Backbone interact. energy: -0.157
local terms energy: -80.648880
where:
bonds (distance) C4'-P energy: -13.008
bonds (distance) P-C4' energy: -18.796
flat angles C4'-P-C4' energy: -16.916
flat angles P-C4'-P energy: -13.897
tors. eta vs tors. theta energy: -18.032
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 466
Temperature: 1.250000
Total energy: -241.973394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.973394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.973394 (E_RNA)
where:
Base-Base interactions energy: -171.527
where: short stacking energy: -79.318
Base-Backbone interact. energy: 0.143
local terms energy: -70.589141
where:
bonds (distance) C4'-P energy: -12.112
bonds (distance) P-C4' energy: -18.109
flat angles C4'-P-C4' energy: -17.053
flat angles P-C4'-P energy: -8.607
tors. eta vs tors. theta energy: -14.709
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 466
Temperature: 1.300000
Total energy: -118.496675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.496675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.496675 (E_RNA)
where:
Base-Base interactions energy: -57.758
where: short stacking energy: -30.750
Base-Backbone interact. energy: 0.054
local terms energy: -60.792589
where:
bonds (distance) C4'-P energy: -15.268
bonds (distance) P-C4' energy: -17.876
flat angles C4'-P-C4' energy: -14.699
flat angles P-C4'-P energy: -12.855
tors. eta vs tors. theta energy: -0.094
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 466
Temperature: 1.350000
Total energy: -103.403755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.403755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.403755 (E_RNA)
where:
Base-Base interactions energy: -42.985
where: short stacking energy: -21.822
Base-Backbone interact. energy: -0.703
local terms energy: -59.715676
where:
bonds (distance) C4'-P energy: -12.230
bonds (distance) P-C4' energy: -16.594
flat angles C4'-P-C4' energy: -14.451
flat angles P-C4'-P energy: -15.701
tors. eta vs tors. theta energy: -0.740
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 467
Temperature: 0.900000
Total energy: -354.059848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.059848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.059848 (E_RNA)
where:
Base-Base interactions energy: -255.512
where: short stacking energy: -102.954
Base-Backbone interact. energy: -0.269
local terms energy: -98.278394
where:
bonds (distance) C4'-P energy: -19.079
bonds (distance) P-C4' energy: -19.438
flat angles C4'-P-C4' energy: -21.042
flat angles P-C4'-P energy: -12.332
tors. eta vs tors. theta energy: -26.388
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 467
Temperature: 0.950000
Total energy: -333.749806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.749806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.749806 (E_RNA)
where:
Base-Base interactions energy: -237.526
where: short stacking energy: -97.105
Base-Backbone interact. energy: -1.087
local terms energy: -95.136415
where:
bonds (distance) C4'-P energy: -17.641
bonds (distance) P-C4' energy: -18.632
flat angles C4'-P-C4' energy: -20.838
flat angles P-C4'-P energy: -13.981
tors. eta vs tors. theta energy: -24.045
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 467
Temperature: 1.000000
Total energy: -320.434282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.434282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.434282 (E_RNA)
where:
Base-Base interactions energy: -211.289
where: short stacking energy: -106.083
Base-Backbone interact. energy: -1.288
local terms energy: -107.857281
where:
bonds (distance) C4'-P energy: -20.077
bonds (distance) P-C4' energy: -18.360
flat angles C4'-P-C4' energy: -24.093
flat angles P-C4'-P energy: -15.753
tors. eta vs tors. theta energy: -29.575
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 467
Temperature: 1.050000
Total energy: -309.096872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.096872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.096872 (E_RNA)
where:
Base-Base interactions energy: -223.423
where: short stacking energy: -87.604
Base-Backbone interact. energy: -1.229
local terms energy: -84.444186
where:
bonds (distance) C4'-P energy: -17.776
bonds (distance) P-C4' energy: -16.961
flat angles C4'-P-C4' energy: -16.834
flat angles P-C4'-P energy: -10.516
tors. eta vs tors. theta energy: -22.358
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 467
Temperature: 1.100000
Total energy: -245.842913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.842913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.842913 (E_RNA)
where:
Base-Base interactions energy: -161.230
where: short stacking energy: -70.861
Base-Backbone interact. energy: -0.004
local terms energy: -84.608891
where:
bonds (distance) C4'-P energy: -17.349
bonds (distance) P-C4' energy: -18.370
flat angles C4'-P-C4' energy: -19.589
flat angles P-C4'-P energy: -5.874
tors. eta vs tors. theta energy: -23.426
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 467
Temperature: 1.150000
Total energy: -262.231849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.231849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.231849 (E_RNA)
where:
Base-Base interactions energy: -172.092
where: short stacking energy: -92.447
Base-Backbone interact. energy: -0.016
local terms energy: -90.124415
where:
bonds (distance) C4'-P energy: -13.656
bonds (distance) P-C4' energy: -17.948
flat angles C4'-P-C4' energy: -19.667
flat angles P-C4'-P energy: -14.252
tors. eta vs tors. theta energy: -24.601
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 467
Temperature: 1.200000
Total energy: -221.392162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.392162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.392162 (E_RNA)
where:
Base-Base interactions energy: -145.784
where: short stacking energy: -61.554
Base-Backbone interact. energy: -0.033
local terms energy: -75.575612
where:
bonds (distance) C4'-P energy: -18.014
bonds (distance) P-C4' energy: -15.939
flat angles C4'-P-C4' energy: -12.572
flat angles P-C4'-P energy: -16.858
tors. eta vs tors. theta energy: -12.193
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 467
Temperature: 1.250000
Total energy: -226.701020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.701020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.701020 (E_RNA)
where:
Base-Base interactions energy: -145.329
where: short stacking energy: -69.631
Base-Backbone interact. energy: -0.275
local terms energy: -81.096853
where:
bonds (distance) C4'-P energy: -16.325
bonds (distance) P-C4' energy: -14.036
flat angles C4'-P-C4' energy: -19.344
flat angles P-C4'-P energy: -14.742
tors. eta vs tors. theta energy: -16.651
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 467
Temperature: 1.300000
Total energy: -113.016647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.016647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.016647 (E_RNA)
where:
Base-Base interactions energy: -57.804
where: short stacking energy: -35.166
Base-Backbone interact. energy: 0.615
local terms energy: -55.827775
where:
bonds (distance) C4'-P energy: -16.900
bonds (distance) P-C4' energy: -11.614
flat angles C4'-P-C4' energy: -18.556
flat angles P-C4'-P energy: -8.691
tors. eta vs tors. theta energy: -0.067
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 467
Temperature: 1.350000
Total energy: -107.384477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.384477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.384477 (E_RNA)
where:
Base-Base interactions energy: -32.807
where: short stacking energy: -32.405
Base-Backbone interact. energy: 0.398
local terms energy: -74.975355
where:
bonds (distance) C4'-P energy: -20.798
bonds (distance) P-C4' energy: -20.860
flat angles C4'-P-C4' energy: -19.714
flat angles P-C4'-P energy: -9.592
tors. eta vs tors. theta energy: -4.012
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 468
Temperature: 0.900000
Total energy: -343.251176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.251176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.251176 (E_RNA)
where:
Base-Base interactions energy: -242.738
where: short stacking energy: -96.256
Base-Backbone interact. energy: -0.144
local terms energy: -100.368550
where:
bonds (distance) C4'-P energy: -16.688
bonds (distance) P-C4' energy: -19.189
flat angles C4'-P-C4' energy: -20.641
flat angles P-C4'-P energy: -18.237
tors. eta vs tors. theta energy: -25.613
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 468
Temperature: 0.950000
Total energy: -346.351120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.351120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.351120 (E_RNA)
where:
Base-Base interactions energy: -244.340
where: short stacking energy: -109.645
Base-Backbone interact. energy: -0.398
local terms energy: -101.613474
where:
bonds (distance) C4'-P energy: -20.424
bonds (distance) P-C4' energy: -22.014
flat angles C4'-P-C4' energy: -22.273
flat angles P-C4'-P energy: -10.714
tors. eta vs tors. theta energy: -26.190
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 468
Temperature: 1.000000
Total energy: -326.371777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.371777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.371777 (E_RNA)
where:
Base-Base interactions energy: -227.266
where: short stacking energy: -98.564
Base-Backbone interact. energy: -0.446
local terms energy: -98.660487
where:
bonds (distance) C4'-P energy: -20.059
bonds (distance) P-C4' energy: -16.167
flat angles C4'-P-C4' energy: -20.412
flat angles P-C4'-P energy: -15.307
tors. eta vs tors. theta energy: -26.715
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 468
Temperature: 1.050000
Total energy: -291.253016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.253016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.253016 (E_RNA)
where:
Base-Base interactions energy: -195.777
where: short stacking energy: -77.715
Base-Backbone interact. energy: -0.550
local terms energy: -94.925418
where:
bonds (distance) C4'-P energy: -21.574
bonds (distance) P-C4' energy: -20.031
flat angles C4'-P-C4' energy: -17.932
flat angles P-C4'-P energy: -11.753
tors. eta vs tors. theta energy: -23.634
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 468
Temperature: 1.100000
Total energy: -245.885307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.885307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.885307 (E_RNA)
where:
Base-Base interactions energy: -161.202
where: short stacking energy: -64.819
Base-Backbone interact. energy: -0.250
local terms energy: -84.432907
where:
bonds (distance) C4'-P energy: -20.741
bonds (distance) P-C4' energy: -16.989
flat angles C4'-P-C4' energy: -20.840
flat angles P-C4'-P energy: -7.750
tors. eta vs tors. theta energy: -18.114
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 468
Temperature: 1.150000
Total energy: -242.056065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.056065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.056065 (E_RNA)
where:
Base-Base interactions energy: -159.377
where: short stacking energy: -80.618
Base-Backbone interact. energy: -1.030
local terms energy: -81.649271
where:
bonds (distance) C4'-P energy: -18.308
bonds (distance) P-C4' energy: -19.872
flat angles C4'-P-C4' energy: -16.659
flat angles P-C4'-P energy: -10.092
tors. eta vs tors. theta energy: -16.719
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 468
Temperature: 1.200000
Total energy: -242.875088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.875088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.875088 (E_RNA)
where:
Base-Base interactions energy: -159.858
where: short stacking energy: -61.327
Base-Backbone interact. energy: -0.548
local terms energy: -82.468488
where:
bonds (distance) C4'-P energy: -15.989
bonds (distance) P-C4' energy: -20.737
flat angles C4'-P-C4' energy: -18.409
flat angles P-C4'-P energy: -14.130
tors. eta vs tors. theta energy: -13.203
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 468
Temperature: 1.250000
Total energy: -234.839289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.839289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.839289 (E_RNA)
where:
Base-Base interactions energy: -158.295
where: short stacking energy: -70.219
Base-Backbone interact. energy: -0.027
local terms energy: -76.517609
where:
bonds (distance) C4'-P energy: -14.040
bonds (distance) P-C4' energy: -17.322
flat angles C4'-P-C4' energy: -15.904
flat angles P-C4'-P energy: -9.242
tors. eta vs tors. theta energy: -20.010
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 468
Temperature: 1.300000
Total energy: -96.982605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.982605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.982605 (E_RNA)
where:
Base-Base interactions energy: -33.007
where: short stacking energy: -29.519
Base-Backbone interact. energy: -0.358
local terms energy: -63.617572
where:
bonds (distance) C4'-P energy: -14.889
bonds (distance) P-C4' energy: -22.010
flat angles C4'-P-C4' energy: -15.436
flat angles P-C4'-P energy: -9.896
tors. eta vs tors. theta energy: -1.386
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 468
Temperature: 1.350000
Total energy: -114.550327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.550327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.550327 (E_RNA)
where:
Base-Base interactions energy: -61.955
where: short stacking energy: -33.567
Base-Backbone interact. energy: -0.148
local terms energy: -52.447159
where:
bonds (distance) C4'-P energy: -15.283
bonds (distance) P-C4' energy: -18.660
flat angles C4'-P-C4' energy: -14.268
flat angles P-C4'-P energy: -2.569
tors. eta vs tors. theta energy: -1.667
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 469
Temperature: 0.900000
Total energy: -342.683575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.683575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.683575 (E_RNA)
where:
Base-Base interactions energy: -248.041
where: short stacking energy: -103.959
Base-Backbone interact. energy: 0.073
local terms energy: -94.715596
where:
bonds (distance) C4'-P energy: -18.634
bonds (distance) P-C4' energy: -15.747
flat angles C4'-P-C4' energy: -21.801
flat angles P-C4'-P energy: -15.153
tors. eta vs tors. theta energy: -23.380
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 469
Temperature: 0.950000
Total energy: -332.955539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.955539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.955539 (E_RNA)
where:
Base-Base interactions energy: -233.137
where: short stacking energy: -100.037
Base-Backbone interact. energy: -0.365
local terms energy: -99.453638
where:
bonds (distance) C4'-P energy: -17.329
bonds (distance) P-C4' energy: -20.470
flat angles C4'-P-C4' energy: -18.875
flat angles P-C4'-P energy: -14.101
tors. eta vs tors. theta energy: -28.679
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 469
Temperature: 1.000000
Total energy: -332.130486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.130486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.130486 (E_RNA)
where:
Base-Base interactions energy: -234.573
where: short stacking energy: -96.145
Base-Backbone interact. energy: -0.669
local terms energy: -96.888614
where:
bonds (distance) C4'-P energy: -15.738
bonds (distance) P-C4' energy: -22.372
flat angles C4'-P-C4' energy: -19.703
flat angles P-C4'-P energy: -15.281
tors. eta vs tors. theta energy: -23.794
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 469
Temperature: 1.050000
Total energy: -276.018208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.018208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.018208 (E_RNA)
where:
Base-Base interactions energy: -184.118
where: short stacking energy: -79.035
Base-Backbone interact. energy: -1.713
local terms energy: -90.186539
where:
bonds (distance) C4'-P energy: -10.762
bonds (distance) P-C4' energy: -23.103
flat angles C4'-P-C4' energy: -22.184
flat angles P-C4'-P energy: -12.453
tors. eta vs tors. theta energy: -21.684
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 469
Temperature: 1.100000
Total energy: -277.078695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.078695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.078695 (E_RNA)
where:
Base-Base interactions energy: -180.623
where: short stacking energy: -95.070
Base-Backbone interact. energy: -0.048
local terms energy: -96.407831
where:
bonds (distance) C4'-P energy: -18.699
bonds (distance) P-C4' energy: -15.836
flat angles C4'-P-C4' energy: -19.539
flat angles P-C4'-P energy: -16.031
tors. eta vs tors. theta energy: -26.303
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 469
Temperature: 1.150000
Total energy: -244.470907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.470907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.470907 (E_RNA)
where:
Base-Base interactions energy: -164.060
where: short stacking energy: -83.752
Base-Backbone interact. energy: -0.624
local terms energy: -79.787009
where:
bonds (distance) C4'-P energy: -17.891
bonds (distance) P-C4' energy: -17.900
flat angles C4'-P-C4' energy: -17.432
flat angles P-C4'-P energy: -10.070
tors. eta vs tors. theta energy: -16.494
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 469
Temperature: 1.200000
Total energy: -231.973316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.973316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.973316 (E_RNA)
where:
Base-Base interactions energy: -154.539
where: short stacking energy: -69.199
Base-Backbone interact. energy: 0.549
local terms energy: -77.983592
where:
bonds (distance) C4'-P energy: -12.606
bonds (distance) P-C4' energy: -15.717
flat angles C4'-P-C4' energy: -19.651
flat angles P-C4'-P energy: -15.229
tors. eta vs tors. theta energy: -14.781
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 469
Temperature: 1.250000
Total energy: -230.906951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.906951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.906951 (E_RNA)
where:
Base-Base interactions energy: -158.607
where: short stacking energy: -65.850
Base-Backbone interact. energy: -0.031
local terms energy: -72.269295
where:
bonds (distance) C4'-P energy: -16.888
bonds (distance) P-C4' energy: -21.589
flat angles C4'-P-C4' energy: -15.727
flat angles P-C4'-P energy: -7.321
tors. eta vs tors. theta energy: -10.745
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 469
Temperature: 1.300000
Total energy: -99.953135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.953135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.953135 (E_RNA)
where:
Base-Base interactions energy: -47.436
where: short stacking energy: -38.733
Base-Backbone interact. energy: 0.001
local terms energy: -52.518347
where:
bonds (distance) C4'-P energy: -17.679
bonds (distance) P-C4' energy: -8.829
flat angles C4'-P-C4' energy: -13.734
flat angles P-C4'-P energy: -9.614
tors. eta vs tors. theta energy: -2.663
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 469
Temperature: 1.350000
Total energy: -134.705447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.705447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.705447 (E_RNA)
where:
Base-Base interactions energy: -74.095
where: short stacking energy: -36.460
Base-Backbone interact. energy: -0.246
local terms energy: -60.364786
where:
bonds (distance) C4'-P energy: -20.739
bonds (distance) P-C4' energy: -16.934
flat angles C4'-P-C4' energy: -15.295
flat angles P-C4'-P energy: -6.138
tors. eta vs tors. theta energy: -1.260
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 470
Temperature: 0.900000
Total energy: -339.960397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.960397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.960397 (E_RNA)
where:
Base-Base interactions energy: -246.114
where: short stacking energy: -101.156
Base-Backbone interact. energy: -0.843
local terms energy: -93.003291
where:
bonds (distance) C4'-P energy: -17.112
bonds (distance) P-C4' energy: -20.548
flat angles C4'-P-C4' energy: -20.572
flat angles P-C4'-P energy: -11.494
tors. eta vs tors. theta energy: -23.277
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 470
Temperature: 0.950000
Total energy: -326.512404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.512404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.512404 (E_RNA)
where:
Base-Base interactions energy: -234.005
where: short stacking energy: -89.542
Base-Backbone interact. energy: -1.116
local terms energy: -91.391352
where:
bonds (distance) C4'-P energy: -16.007
bonds (distance) P-C4' energy: -18.572
flat angles C4'-P-C4' energy: -18.805
flat angles P-C4'-P energy: -10.814
tors. eta vs tors. theta energy: -27.194
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 470
Temperature: 1.000000
Total energy: -334.156642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.156642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.156642 (E_RNA)
where:
Base-Base interactions energy: -235.811
where: short stacking energy: -100.953
Base-Backbone interact. energy: -0.634
local terms energy: -97.711591
where:
bonds (distance) C4'-P energy: -18.772
bonds (distance) P-C4' energy: -19.319
flat angles C4'-P-C4' energy: -22.874
flat angles P-C4'-P energy: -12.291
tors. eta vs tors. theta energy: -24.455
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 470
Temperature: 1.050000
Total energy: -284.888582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.888582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.888582 (E_RNA)
where:
Base-Base interactions energy: -198.765
where: short stacking energy: -84.637
Base-Backbone interact. energy: -0.736
local terms energy: -85.386848
where:
bonds (distance) C4'-P energy: -14.755
bonds (distance) P-C4' energy: -17.871
flat angles C4'-P-C4' energy: -19.092
flat angles P-C4'-P energy: -13.068
tors. eta vs tors. theta energy: -20.601
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 470
Temperature: 1.100000
Total energy: -257.685362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.685362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.685362 (E_RNA)
where:
Base-Base interactions energy: -178.166
where: short stacking energy: -78.328
Base-Backbone interact. energy: -0.409
local terms energy: -79.110495
where:
bonds (distance) C4'-P energy: -12.539
bonds (distance) P-C4' energy: -14.041
flat angles C4'-P-C4' energy: -18.196
flat angles P-C4'-P energy: -12.222
tors. eta vs tors. theta energy: -22.112
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 470
Temperature: 1.150000
Total energy: -248.749655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.749655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.749655 (E_RNA)
where:
Base-Base interactions energy: -157.768
where: short stacking energy: -75.577
Base-Backbone interact. energy: -0.025
local terms energy: -90.956708
where:
bonds (distance) C4'-P energy: -14.283
bonds (distance) P-C4' energy: -18.130
flat angles C4'-P-C4' energy: -20.803
flat angles P-C4'-P energy: -12.106
tors. eta vs tors. theta energy: -25.634
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 470
Temperature: 1.200000
Total energy: -248.520663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.520663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.520663 (E_RNA)
where:
Base-Base interactions energy: -165.932
where: short stacking energy: -73.930
Base-Backbone interact. energy: -0.248
local terms energy: -82.340181
where:
bonds (distance) C4'-P energy: -21.355
bonds (distance) P-C4' energy: -13.108
flat angles C4'-P-C4' energy: -16.001
flat angles P-C4'-P energy: -12.755
tors. eta vs tors. theta energy: -19.120
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 470
Temperature: 1.250000
Total energy: -234.937942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.937942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.937942 (E_RNA)
where:
Base-Base interactions energy: -154.512
where: short stacking energy: -56.319
Base-Backbone interact. energy: -0.258
local terms energy: -80.167868
where:
bonds (distance) C4'-P energy: -13.018
bonds (distance) P-C4' energy: -19.538
flat angles C4'-P-C4' energy: -20.443
flat angles P-C4'-P energy: -11.853
tors. eta vs tors. theta energy: -15.316
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 470
Temperature: 1.300000
Total energy: -181.206687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.206687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.206687 (E_RNA)
where:
Base-Base interactions energy: -112.739
where: short stacking energy: -57.861
Base-Backbone interact. energy: -0.331
local terms energy: -68.136321
where:
bonds (distance) C4'-P energy: -14.842
bonds (distance) P-C4' energy: -23.010
flat angles C4'-P-C4' energy: -14.892
flat angles P-C4'-P energy: -8.337
tors. eta vs tors. theta energy: -7.055
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 470
Temperature: 1.350000
Total energy: -151.253333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.253333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.253333 (E_RNA)
where:
Base-Base interactions energy: -83.304
where: short stacking energy: -44.189
Base-Backbone interact. energy: -0.236
local terms energy: -67.713140
where:
bonds (distance) C4'-P energy: -17.969
bonds (distance) P-C4' energy: -18.383
flat angles C4'-P-C4' energy: -15.258
flat angles P-C4'-P energy: -10.954
tors. eta vs tors. theta energy: -5.149
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 471
Temperature: 0.900000
Total energy: -346.179151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.179151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.179151 (E_RNA)
where:
Base-Base interactions energy: -246.387
where: short stacking energy: -91.809
Base-Backbone interact. energy: -0.784
local terms energy: -99.007874
where:
bonds (distance) C4'-P energy: -19.934
bonds (distance) P-C4' energy: -20.855
flat angles C4'-P-C4' energy: -17.161
flat angles P-C4'-P energy: -16.180
tors. eta vs tors. theta energy: -24.879
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 471
Temperature: 0.950000
Total energy: -347.084935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.084935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.084935 (E_RNA)
where:
Base-Base interactions energy: -245.161
where: short stacking energy: -98.151
Base-Backbone interact. energy: -0.972
local terms energy: -100.952861
where:
bonds (distance) C4'-P energy: -21.309
bonds (distance) P-C4' energy: -20.732
flat angles C4'-P-C4' energy: -20.064
flat angles P-C4'-P energy: -15.355
tors. eta vs tors. theta energy: -23.493
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 471
Temperature: 1.000000
Total energy: -322.268745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.268745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.268745 (E_RNA)
where:
Base-Base interactions energy: -235.237
where: short stacking energy: -99.219
Base-Backbone interact. energy: -0.789
local terms energy: -86.241971
where:
bonds (distance) C4'-P energy: -13.357
bonds (distance) P-C4' energy: -18.052
flat angles C4'-P-C4' energy: -18.237
flat angles P-C4'-P energy: -12.596
tors. eta vs tors. theta energy: -24.000
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 471
Temperature: 1.050000
Total energy: -293.282436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.282436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.282436 (E_RNA)
where:
Base-Base interactions energy: -201.069
where: short stacking energy: -91.830
Base-Backbone interact. energy: -0.170
local terms energy: -92.043159
where:
bonds (distance) C4'-P energy: -15.842
bonds (distance) P-C4' energy: -20.799
flat angles C4'-P-C4' energy: -18.496
flat angles P-C4'-P energy: -12.888
tors. eta vs tors. theta energy: -24.019
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 471
Temperature: 1.100000
Total energy: -257.077892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.077892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.077892 (E_RNA)
where:
Base-Base interactions energy: -175.663
where: short stacking energy: -66.764
Base-Backbone interact. energy: 0.046
local terms energy: -81.461280
where:
bonds (distance) C4'-P energy: -19.107
bonds (distance) P-C4' energy: -18.636
flat angles C4'-P-C4' energy: -17.009
flat angles P-C4'-P energy: -10.401
tors. eta vs tors. theta energy: -16.309
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 471
Temperature: 1.150000
Total energy: -243.639581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.639581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.639581 (E_RNA)
where:
Base-Base interactions energy: -175.537
where: short stacking energy: -62.755
Base-Backbone interact. energy: -0.332
local terms energy: -67.770328
where:
bonds (distance) C4'-P energy: -15.935
bonds (distance) P-C4' energy: -19.201
flat angles C4'-P-C4' energy: -13.297
flat angles P-C4'-P energy: -8.803
tors. eta vs tors. theta energy: -10.535
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 471
Temperature: 1.200000
Total energy: -229.400541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.400541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.400541 (E_RNA)
where:
Base-Base interactions energy: -156.703
where: short stacking energy: -61.059
Base-Backbone interact. energy: -0.626
local terms energy: -72.070974
where:
bonds (distance) C4'-P energy: -10.586
bonds (distance) P-C4' energy: -20.795
flat angles C4'-P-C4' energy: -14.543
flat angles P-C4'-P energy: -11.825
tors. eta vs tors. theta energy: -14.322
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 471
Temperature: 1.250000
Total energy: -217.734008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.734008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.734008 (E_RNA)
where:
Base-Base interactions energy: -150.452
where: short stacking energy: -56.578
Base-Backbone interact. energy: 0.428
local terms energy: -67.710579
where:
bonds (distance) C4'-P energy: -13.009
bonds (distance) P-C4' energy: -19.041
flat angles C4'-P-C4' energy: -15.173
flat angles P-C4'-P energy: -12.047
tors. eta vs tors. theta energy: -8.440
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 471
Temperature: 1.300000
Total energy: -215.814252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.814252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.814252 (E_RNA)
where:
Base-Base interactions energy: -150.805
where: short stacking energy: -67.731
Base-Backbone interact. energy: -0.011
local terms energy: -64.998679
where:
bonds (distance) C4'-P energy: -10.980
bonds (distance) P-C4' energy: -15.441
flat angles C4'-P-C4' energy: -17.833
flat angles P-C4'-P energy: -11.496
tors. eta vs tors. theta energy: -9.250
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 471
Temperature: 1.350000
Total energy: -198.739823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.739823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.739823 (E_RNA)
where:
Base-Base interactions energy: -135.851
where: short stacking energy: -48.705
Base-Backbone interact. energy: -0.367
local terms energy: -62.521794
where:
bonds (distance) C4'-P energy: -21.093
bonds (distance) P-C4' energy: -12.501
flat angles C4'-P-C4' energy: -17.668
flat angles P-C4'-P energy: -6.395
tors. eta vs tors. theta energy: -4.865
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 472
Temperature: 0.900000
Total energy: -348.568690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.568690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.568690 (E_RNA)
where:
Base-Base interactions energy: -248.662
where: short stacking energy: -101.968
Base-Backbone interact. energy: 0.747
local terms energy: -100.653889
where:
bonds (distance) C4'-P energy: -20.038
bonds (distance) P-C4' energy: -24.470
flat angles C4'-P-C4' energy: -22.660
flat angles P-C4'-P energy: -9.412
tors. eta vs tors. theta energy: -24.074
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 472
Temperature: 0.950000
Total energy: -348.502772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.502772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.502772 (E_RNA)
where:
Base-Base interactions energy: -244.130
where: short stacking energy: -98.028
Base-Backbone interact. energy: -0.554
local terms energy: -103.818968
where:
bonds (distance) C4'-P energy: -19.236
bonds (distance) P-C4' energy: -23.473
flat angles C4'-P-C4' energy: -18.403
flat angles P-C4'-P energy: -16.191
tors. eta vs tors. theta energy: -26.516
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 472
Temperature: 1.000000
Total energy: -294.574673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.574673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.574673 (E_RNA)
where:
Base-Base interactions energy: -200.517
where: short stacking energy: -88.103
Base-Backbone interact. energy: -0.155
local terms energy: -93.902664
where:
bonds (distance) C4'-P energy: -22.470
bonds (distance) P-C4' energy: -19.081
flat angles C4'-P-C4' energy: -18.300
flat angles P-C4'-P energy: -12.562
tors. eta vs tors. theta energy: -21.490
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 472
Temperature: 1.050000
Total energy: -319.162012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.162012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.162012 (E_RNA)
where:
Base-Base interactions energy: -220.663
where: short stacking energy: -102.958
Base-Backbone interact. energy: 0.181
local terms energy: -98.680404
where:
bonds (distance) C4'-P energy: -15.038
bonds (distance) P-C4' energy: -20.918
flat angles C4'-P-C4' energy: -21.716
flat angles P-C4'-P energy: -12.045
tors. eta vs tors. theta energy: -28.963
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 472
Temperature: 1.100000
Total energy: -250.502345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.502345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.502345 (E_RNA)
where:
Base-Base interactions energy: -163.759
where: short stacking energy: -74.521
Base-Backbone interact. energy: -0.125
local terms energy: -86.618134
where:
bonds (distance) C4'-P energy: -18.975
bonds (distance) P-C4' energy: -20.990
flat angles C4'-P-C4' energy: -21.759
flat angles P-C4'-P energy: -8.360
tors. eta vs tors. theta energy: -16.535
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 472
Temperature: 1.150000
Total energy: -277.001751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.001751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.001751 (E_RNA)
where:
Base-Base interactions energy: -191.561
where: short stacking energy: -86.308
Base-Backbone interact. energy: -0.897
local terms energy: -84.543053
where:
bonds (distance) C4'-P energy: -15.132
bonds (distance) P-C4' energy: -17.654
flat angles C4'-P-C4' energy: -15.159
flat angles P-C4'-P energy: -13.164
tors. eta vs tors. theta energy: -23.434
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 472
Temperature: 1.200000
Total energy: -233.378279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.378279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.378279 (E_RNA)
where:
Base-Base interactions energy: -159.755
where: short stacking energy: -62.938
Base-Backbone interact. energy: -0.245
local terms energy: -73.378163
where:
bonds (distance) C4'-P energy: -18.217
bonds (distance) P-C4' energy: -16.248
flat angles C4'-P-C4' energy: -18.700
flat angles P-C4'-P energy: -9.699
tors. eta vs tors. theta energy: -10.514
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 472
Temperature: 1.250000
Total energy: -218.890676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.890676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.890676 (E_RNA)
where:
Base-Base interactions energy: -130.981
where: short stacking energy: -59.965
Base-Backbone interact. energy: 0.515
local terms energy: -88.425029
where:
bonds (distance) C4'-P energy: -15.708
bonds (distance) P-C4' energy: -21.440
flat angles C4'-P-C4' energy: -17.943
flat angles P-C4'-P energy: -13.766
tors. eta vs tors. theta energy: -19.568
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 472
Temperature: 1.300000
Total energy: -212.774902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.774902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.774902 (E_RNA)
where:
Base-Base interactions energy: -136.340
where: short stacking energy: -61.560
Base-Backbone interact. energy: -0.666
local terms energy: -75.769475
where:
bonds (distance) C4'-P energy: -13.804
bonds (distance) P-C4' energy: -21.748
flat angles C4'-P-C4' energy: -12.993
flat angles P-C4'-P energy: -16.165
tors. eta vs tors. theta energy: -11.059
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 472
Temperature: 1.350000
Total energy: -198.637148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.637148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.637148 (E_RNA)
where:
Base-Base interactions energy: -127.434
where: short stacking energy: -53.917
Base-Backbone interact. energy: -0.228
local terms energy: -70.975067
where:
bonds (distance) C4'-P energy: -14.588
bonds (distance) P-C4' energy: -21.119
flat angles C4'-P-C4' energy: -16.808
flat angles P-C4'-P energy: -11.108
tors. eta vs tors. theta energy: -7.352
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 473
Temperature: 0.900000
Total energy: -349.040710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.040710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.040710 (E_RNA)
where:
Base-Base interactions energy: -249.318
where: short stacking energy: -92.565
Base-Backbone interact. energy: 0.144
local terms energy: -99.866279
where:
bonds (distance) C4'-P energy: -16.994
bonds (distance) P-C4' energy: -21.197
flat angles C4'-P-C4' energy: -22.599
flat angles P-C4'-P energy: -13.948
tors. eta vs tors. theta energy: -25.128
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 473
Temperature: 0.950000
Total energy: -344.450836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.450836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.450836 (E_RNA)
where:
Base-Base interactions energy: -250.018
where: short stacking energy: -105.675
Base-Backbone interact. energy: -0.284
local terms energy: -94.148856
where:
bonds (distance) C4'-P energy: -17.654
bonds (distance) P-C4' energy: -19.368
flat angles C4'-P-C4' energy: -17.284
flat angles P-C4'-P energy: -16.194
tors. eta vs tors. theta energy: -23.649
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 473
Temperature: 1.000000
Total energy: -283.259974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.259974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.259974 (E_RNA)
where:
Base-Base interactions energy: -189.666
where: short stacking energy: -94.960
Base-Backbone interact. energy: 0.587
local terms energy: -94.181814
where:
bonds (distance) C4'-P energy: -18.209
bonds (distance) P-C4' energy: -21.102
flat angles C4'-P-C4' energy: -16.679
flat angles P-C4'-P energy: -17.335
tors. eta vs tors. theta energy: -20.857
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 473
Temperature: 1.050000
Total energy: -322.415652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.415652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.415652 (E_RNA)
where:
Base-Base interactions energy: -221.236
where: short stacking energy: -93.160
Base-Backbone interact. energy: 1.236
local terms energy: -102.416086
where:
bonds (distance) C4'-P energy: -21.077
bonds (distance) P-C4' energy: -21.394
flat angles C4'-P-C4' energy: -17.611
flat angles P-C4'-P energy: -17.254
tors. eta vs tors. theta energy: -25.081
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 473
Temperature: 1.100000
Total energy: -266.448327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.448327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.448327 (E_RNA)
where:
Base-Base interactions energy: -176.500
where: short stacking energy: -69.597
Base-Backbone interact. energy: -0.060
local terms energy: -89.888333
where:
bonds (distance) C4'-P energy: -21.715
bonds (distance) P-C4' energy: -19.097
flat angles C4'-P-C4' energy: -21.017
flat angles P-C4'-P energy: -15.580
tors. eta vs tors. theta energy: -12.478
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 473
Temperature: 1.150000
Total energy: -269.426751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.426751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.426751 (E_RNA)
where:
Base-Base interactions energy: -187.707
where: short stacking energy: -91.829
Base-Backbone interact. energy: -0.207
local terms energy: -81.512478
where:
bonds (distance) C4'-P energy: -16.081
bonds (distance) P-C4' energy: -13.441
flat angles C4'-P-C4' energy: -21.172
flat angles P-C4'-P energy: -8.904
tors. eta vs tors. theta energy: -21.915
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 473
Temperature: 1.200000
Total energy: -214.037185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.037185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.037185 (E_RNA)
where:
Base-Base interactions energy: -131.898
where: short stacking energy: -60.295
Base-Backbone interact. energy: -0.148
local terms energy: -81.991510
where:
bonds (distance) C4'-P energy: -16.271
bonds (distance) P-C4' energy: -19.124
flat angles C4'-P-C4' energy: -17.972
flat angles P-C4'-P energy: -13.256
tors. eta vs tors. theta energy: -15.368
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 473
Temperature: 1.250000
Total energy: -221.156830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.156830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.156830 (E_RNA)
where:
Base-Base interactions energy: -141.978
where: short stacking energy: -66.532
Base-Backbone interact. energy: -0.176
local terms energy: -79.002854
where:
bonds (distance) C4'-P energy: -17.687
bonds (distance) P-C4' energy: -18.812
flat angles C4'-P-C4' energy: -20.163
flat angles P-C4'-P energy: -7.648
tors. eta vs tors. theta energy: -14.694
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 473
Temperature: 1.300000
Total energy: -224.813169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.813169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.813169 (E_RNA)
where:
Base-Base interactions energy: -155.401
where: short stacking energy: -64.212
Base-Backbone interact. energy: -0.278
local terms energy: -69.133805
where:
bonds (distance) C4'-P energy: -16.093
bonds (distance) P-C4' energy: -19.062
flat angles C4'-P-C4' energy: -21.475
flat angles P-C4'-P energy: -5.497
tors. eta vs tors. theta energy: -7.007
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 473
Temperature: 1.350000
Total energy: -215.329650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.329650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.329650 (E_RNA)
where:
Base-Base interactions energy: -142.843
where: short stacking energy: -69.128
Base-Backbone interact. energy: -0.119
local terms energy: -72.367990
where:
bonds (distance) C4'-P energy: -4.948
bonds (distance) P-C4' energy: -20.503
flat angles C4'-P-C4' energy: -19.845
flat angles P-C4'-P energy: -11.483
tors. eta vs tors. theta energy: -15.589
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 474
Temperature: 0.900000
Total energy: -343.521725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.521725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.521725 (E_RNA)
where:
Base-Base interactions energy: -249.597
where: short stacking energy: -95.248
Base-Backbone interact. energy: -0.966
local terms energy: -92.959465
where:
bonds (distance) C4'-P energy: -19.133
bonds (distance) P-C4' energy: -18.332
flat angles C4'-P-C4' energy: -19.281
flat angles P-C4'-P energy: -13.637
tors. eta vs tors. theta energy: -22.577
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 474
Temperature: 0.950000
Total energy: -340.692474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.692474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.692474 (E_RNA)
where:
Base-Base interactions energy: -242.536
where: short stacking energy: -89.701
Base-Backbone interact. energy: -1.171
local terms energy: -96.984810
where:
bonds (distance) C4'-P energy: -19.915
bonds (distance) P-C4' energy: -20.440
flat angles C4'-P-C4' energy: -20.935
flat angles P-C4'-P energy: -12.849
tors. eta vs tors. theta energy: -22.847
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 474
Temperature: 1.000000
Total energy: -305.276385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.276385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.276385 (E_RNA)
where:
Base-Base interactions energy: -214.538
where: short stacking energy: -93.064
Base-Backbone interact. energy: -0.391
local terms energy: -90.347386
where:
bonds (distance) C4'-P energy: -18.122
bonds (distance) P-C4' energy: -23.512
flat angles C4'-P-C4' energy: -11.003
flat angles P-C4'-P energy: -12.348
tors. eta vs tors. theta energy: -25.362
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 474
Temperature: 1.050000
Total energy: -273.753687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.753687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.753687 (E_RNA)
where:
Base-Base interactions energy: -184.676
where: short stacking energy: -90.817
Base-Backbone interact. energy: -1.303
local terms energy: -87.773814
where:
bonds (distance) C4'-P energy: -18.563
bonds (distance) P-C4' energy: -15.687
flat angles C4'-P-C4' energy: -21.199
flat angles P-C4'-P energy: -6.785
tors. eta vs tors. theta energy: -25.540
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 474
Temperature: 1.100000
Total energy: -276.730657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.730657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.730657 (E_RNA)
where:
Base-Base interactions energy: -193.170
where: short stacking energy: -70.351
Base-Backbone interact. energy: -0.283
local terms energy: -83.277757
where:
bonds (distance) C4'-P energy: -18.370
bonds (distance) P-C4' energy: -16.354
flat angles C4'-P-C4' energy: -18.291
flat angles P-C4'-P energy: -14.529
tors. eta vs tors. theta energy: -15.735
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 474
Temperature: 1.150000
Total energy: -243.186043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.186043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.186043 (E_RNA)
where:
Base-Base interactions energy: -164.297
where: short stacking energy: -73.154
Base-Backbone interact. energy: 0.214
local terms energy: -79.102445
where:
bonds (distance) C4'-P energy: -16.943
bonds (distance) P-C4' energy: -19.630
flat angles C4'-P-C4' energy: -12.514
flat angles P-C4'-P energy: -10.535
tors. eta vs tors. theta energy: -19.481
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 474
Temperature: 1.200000
Total energy: -232.566993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.566993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.566993 (E_RNA)
where:
Base-Base interactions energy: -150.484
where: short stacking energy: -62.182
Base-Backbone interact. energy: -0.726
local terms energy: -81.357471
where:
bonds (distance) C4'-P energy: -15.087
bonds (distance) P-C4' energy: -22.042
flat angles C4'-P-C4' energy: -15.954
flat angles P-C4'-P energy: -12.564
tors. eta vs tors. theta energy: -15.711
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 474
Temperature: 1.250000
Total energy: -213.667053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.667053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.667053 (E_RNA)
where:
Base-Base interactions energy: -133.677
where: short stacking energy: -68.877
Base-Backbone interact. energy: -0.115
local terms energy: -79.874965
where:
bonds (distance) C4'-P energy: -16.453
bonds (distance) P-C4' energy: -18.809
flat angles C4'-P-C4' energy: -17.904
flat angles P-C4'-P energy: -10.784
tors. eta vs tors. theta energy: -15.925
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 474
Temperature: 1.300000
Total energy: -212.718214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.718214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.718214 (E_RNA)
where:
Base-Base interactions energy: -143.388
where: short stacking energy: -66.794
Base-Backbone interact. energy: 3.049
local terms energy: -72.378982
where:
bonds (distance) C4'-P energy: -13.018
bonds (distance) P-C4' energy: -18.290
flat angles C4'-P-C4' energy: -12.412
flat angles P-C4'-P energy: -15.624
tors. eta vs tors. theta energy: -13.035
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 474
Temperature: 1.350000
Total energy: -204.686933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.686933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.686933 (E_RNA)
where:
Base-Base interactions energy: -130.022
where: short stacking energy: -54.764
Base-Backbone interact. energy: 0.724
local terms energy: -75.388415
where:
bonds (distance) C4'-P energy: -9.195
bonds (distance) P-C4' energy: -21.115
flat angles C4'-P-C4' energy: -14.761
flat angles P-C4'-P energy: -14.711
tors. eta vs tors. theta energy: -15.607
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 475
Temperature: 0.900000
Total energy: -344.266931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.266931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.266931 (E_RNA)
where:
Base-Base interactions energy: -251.079
where: short stacking energy: -99.273
Base-Backbone interact. energy: -0.438
local terms energy: -92.750260
where:
bonds (distance) C4'-P energy: -20.761
bonds (distance) P-C4' energy: -19.029
flat angles C4'-P-C4' energy: -20.578
flat angles P-C4'-P energy: -11.762
tors. eta vs tors. theta energy: -20.620
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 475
Temperature: 0.950000
Total energy: -338.515376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.515376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.515376 (E_RNA)
where:
Base-Base interactions energy: -239.360
where: short stacking energy: -94.672
Base-Backbone interact. energy: -0.524
local terms energy: -98.631655
where:
bonds (distance) C4'-P energy: -18.813
bonds (distance) P-C4' energy: -21.468
flat angles C4'-P-C4' energy: -20.679
flat angles P-C4'-P energy: -13.474
tors. eta vs tors. theta energy: -24.197
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 475
Temperature: 1.000000
Total energy: -319.748462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.748462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.748462 (E_RNA)
where:
Base-Base interactions energy: -226.759
where: short stacking energy: -90.751
Base-Backbone interact. energy: -0.786
local terms energy: -92.203348
where:
bonds (distance) C4'-P energy: -19.641
bonds (distance) P-C4' energy: -21.523
flat angles C4'-P-C4' energy: -16.062
flat angles P-C4'-P energy: -12.092
tors. eta vs tors. theta energy: -22.886
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 475
Temperature: 1.050000
Total energy: -284.335665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.335665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.335665 (E_RNA)
where:
Base-Base interactions energy: -196.717
where: short stacking energy: -91.625
Base-Backbone interact. energy: 0.024
local terms energy: -87.642704
where:
bonds (distance) C4'-P energy: -18.949
bonds (distance) P-C4' energy: -11.342
flat angles C4'-P-C4' energy: -20.937
flat angles P-C4'-P energy: -12.515
tors. eta vs tors. theta energy: -23.898
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 475
Temperature: 1.100000
Total energy: -247.217371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.217371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.217371 (E_RNA)
where:
Base-Base interactions energy: -165.761
where: short stacking energy: -72.138
Base-Backbone interact. energy: -0.003
local terms energy: -81.453330
where:
bonds (distance) C4'-P energy: -17.305
bonds (distance) P-C4' energy: -17.630
flat angles C4'-P-C4' energy: -18.039
flat angles P-C4'-P energy: -6.376
tors. eta vs tors. theta energy: -22.104
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 475
Temperature: 1.150000
Total energy: -249.733670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.733670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.733670 (E_RNA)
where:
Base-Base interactions energy: -168.486
where: short stacking energy: -68.529
Base-Backbone interact. energy: -0.311
local terms energy: -80.936943
where:
bonds (distance) C4'-P energy: -16.730
bonds (distance) P-C4' energy: -21.378
flat angles C4'-P-C4' energy: -16.809
flat angles P-C4'-P energy: -13.218
tors. eta vs tors. theta energy: -12.802
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 475
Temperature: 1.200000
Total energy: -222.644798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.644798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.644798 (E_RNA)
where:
Base-Base interactions energy: -138.274
where: short stacking energy: -57.912
Base-Backbone interact. energy: 0.678
local terms energy: -85.049280
where:
bonds (distance) C4'-P energy: -22.700
bonds (distance) P-C4' energy: -15.941
flat angles C4'-P-C4' energy: -22.309
flat angles P-C4'-P energy: -13.648
tors. eta vs tors. theta energy: -10.451
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 475
Temperature: 1.250000
Total energy: -226.724584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.724584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.724584 (E_RNA)
where:
Base-Base interactions energy: -148.483
where: short stacking energy: -58.320
Base-Backbone interact. energy: -0.635
local terms energy: -77.606539
where:
bonds (distance) C4'-P energy: -17.009
bonds (distance) P-C4' energy: -22.501
flat angles C4'-P-C4' energy: -15.001
flat angles P-C4'-P energy: -10.513
tors. eta vs tors. theta energy: -12.582
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 475
Temperature: 1.300000
Total energy: -238.381015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.381015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.381015 (E_RNA)
where:
Base-Base interactions energy: -153.122
where: short stacking energy: -81.437
Base-Backbone interact. energy: -0.400
local terms energy: -84.858188
where:
bonds (distance) C4'-P energy: -16.649
bonds (distance) P-C4' energy: -19.003
flat angles C4'-P-C4' energy: -16.640
flat angles P-C4'-P energy: -10.182
tors. eta vs tors. theta energy: -22.384
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 475
Temperature: 1.350000
Total energy: -217.401701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.401701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.401701 (E_RNA)
where:
Base-Base interactions energy: -139.466
where: short stacking energy: -76.569
Base-Backbone interact. energy: -0.109
local terms energy: -77.826029
where:
bonds (distance) C4'-P energy: -17.357
bonds (distance) P-C4' energy: -15.595
flat angles C4'-P-C4' energy: -16.860
flat angles P-C4'-P energy: -8.689
tors. eta vs tors. theta energy: -19.325
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 476
Temperature: 0.900000
Total energy: -348.064960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.064960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.064960 (E_RNA)
where:
Base-Base interactions energy: -245.748
where: short stacking energy: -100.003
Base-Backbone interact. energy: -0.682
local terms energy: -101.634296
where:
bonds (distance) C4'-P energy: -20.308
bonds (distance) P-C4' energy: -19.156
flat angles C4'-P-C4' energy: -21.064
flat angles P-C4'-P energy: -15.263
tors. eta vs tors. theta energy: -25.844
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 476
Temperature: 0.950000
Total energy: -341.703283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.703283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.703283 (E_RNA)
where:
Base-Base interactions energy: -244.101
where: short stacking energy: -100.034
Base-Backbone interact. energy: -0.247
local terms energy: -97.355301
where:
bonds (distance) C4'-P energy: -20.919
bonds (distance) P-C4' energy: -15.441
flat angles C4'-P-C4' energy: -20.939
flat angles P-C4'-P energy: -14.532
tors. eta vs tors. theta energy: -25.525
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 476
Temperature: 1.000000
Total energy: -294.310821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.310821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.310821 (E_RNA)
where:
Base-Base interactions energy: -208.491
where: short stacking energy: -75.793
Base-Backbone interact. energy: -0.470
local terms energy: -85.349647
where:
bonds (distance) C4'-P energy: -22.129
bonds (distance) P-C4' energy: -22.560
flat angles C4'-P-C4' energy: -17.040
flat angles P-C4'-P energy: -6.515
tors. eta vs tors. theta energy: -17.107
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 476
Temperature: 1.050000
Total energy: -305.329061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.329061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.329061 (E_RNA)
where:
Base-Base interactions energy: -215.699
where: short stacking energy: -86.538
Base-Backbone interact. energy: -0.523
local terms energy: -89.107161
where:
bonds (distance) C4'-P energy: -13.444
bonds (distance) P-C4' energy: -20.252
flat angles C4'-P-C4' energy: -18.778
flat angles P-C4'-P energy: -13.351
tors. eta vs tors. theta energy: -23.282
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 476
Temperature: 1.100000
Total energy: -277.024042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.024042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.024042 (E_RNA)
where:
Base-Base interactions energy: -177.932
where: short stacking energy: -81.160
Base-Backbone interact. energy: -0.107
local terms energy: -98.985585
where:
bonds (distance) C4'-P energy: -20.764
bonds (distance) P-C4' energy: -19.364
flat angles C4'-P-C4' energy: -21.839
flat angles P-C4'-P energy: -12.292
tors. eta vs tors. theta energy: -24.727
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 476
Temperature: 1.150000
Total energy: -254.501914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.501914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.501914 (E_RNA)
where:
Base-Base interactions energy: -166.515
where: short stacking energy: -87.727
Base-Backbone interact. energy: 0.245
local terms energy: -88.232032
where:
bonds (distance) C4'-P energy: -12.706
bonds (distance) P-C4' energy: -22.190
flat angles C4'-P-C4' energy: -21.337
flat angles P-C4'-P energy: -11.611
tors. eta vs tors. theta energy: -20.387
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 476
Temperature: 1.200000
Total energy: -236.264477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.264477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.264477 (E_RNA)
where:
Base-Base interactions energy: -151.352
where: short stacking energy: -69.080
Base-Backbone interact. energy: 0.307
local terms energy: -85.220233
where:
bonds (distance) C4'-P energy: -19.710
bonds (distance) P-C4' energy: -20.428
flat angles C4'-P-C4' energy: -22.409
flat angles P-C4'-P energy: -11.848
tors. eta vs tors. theta energy: -10.826
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 476
Temperature: 1.250000
Total energy: -229.445652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.445652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.445652 (E_RNA)
where:
Base-Base interactions energy: -156.368
where: short stacking energy: -81.713
Base-Backbone interact. energy: 0.679
local terms energy: -73.757292
where:
bonds (distance) C4'-P energy: -11.656
bonds (distance) P-C4' energy: -14.929
flat angles C4'-P-C4' energy: -18.715
flat angles P-C4'-P energy: -7.044
tors. eta vs tors. theta energy: -21.413
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 476
Temperature: 1.300000
Total energy: -217.669364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.669364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.669364 (E_RNA)
where:
Base-Base interactions energy: -140.567
where: short stacking energy: -67.873
Base-Backbone interact. energy: -0.085
local terms energy: -77.018161
where:
bonds (distance) C4'-P energy: -17.295
bonds (distance) P-C4' energy: -19.142
flat angles C4'-P-C4' energy: -15.985
flat angles P-C4'-P energy: -11.276
tors. eta vs tors. theta energy: -13.321
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 476
Temperature: 1.350000
Total energy: -204.302532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.302532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.302532 (E_RNA)
where:
Base-Base interactions energy: -134.463
where: short stacking energy: -57.259
Base-Backbone interact. energy: 0.463
local terms energy: -70.303040
where:
bonds (distance) C4'-P energy: -9.620
bonds (distance) P-C4' energy: -15.249
flat angles C4'-P-C4' energy: -18.562
flat angles P-C4'-P energy: -14.610
tors. eta vs tors. theta energy: -12.262
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 477
Temperature: 0.900000
Total energy: -340.954148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.954148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.954148 (E_RNA)
where:
Base-Base interactions energy: -238.137
where: short stacking energy: -90.510
Base-Backbone interact. energy: -0.306
local terms energy: -102.511057
where:
bonds (distance) C4'-P energy: -18.478
bonds (distance) P-C4' energy: -17.183
flat angles C4'-P-C4' energy: -23.133
flat angles P-C4'-P energy: -17.639
tors. eta vs tors. theta energy: -26.079
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 477
Temperature: 0.950000
Total energy: -351.431745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.431745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.431745 (E_RNA)
where:
Base-Base interactions energy: -258.843
where: short stacking energy: -100.566
Base-Backbone interact. energy: -0.669
local terms energy: -91.919810
where:
bonds (distance) C4'-P energy: -20.056
bonds (distance) P-C4' energy: -20.382
flat angles C4'-P-C4' energy: -19.371
flat angles P-C4'-P energy: -12.148
tors. eta vs tors. theta energy: -19.964
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 477
Temperature: 1.000000
Total energy: -293.597033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.597033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.597033 (E_RNA)
where:
Base-Base interactions energy: -192.440
where: short stacking energy: -96.861
Base-Backbone interact. energy: -0.650
local terms energy: -100.506581
where:
bonds (distance) C4'-P energy: -20.855
bonds (distance) P-C4' energy: -20.936
flat angles C4'-P-C4' energy: -19.154
flat angles P-C4'-P energy: -15.018
tors. eta vs tors. theta energy: -24.544
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 477
Temperature: 1.050000
Total energy: -315.412728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.412728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.412728 (E_RNA)
where:
Base-Base interactions energy: -223.035
where: short stacking energy: -85.085
Base-Backbone interact. energy: -0.399
local terms energy: -91.979245
where:
bonds (distance) C4'-P energy: -17.523
bonds (distance) P-C4' energy: -18.114
flat angles C4'-P-C4' energy: -18.641
flat angles P-C4'-P energy: -10.751
tors. eta vs tors. theta energy: -26.950
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 477
Temperature: 1.100000
Total energy: -259.430827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.430827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.430827 (E_RNA)
where:
Base-Base interactions energy: -171.581
where: short stacking energy: -80.267
Base-Backbone interact. energy: -0.004
local terms energy: -87.845831
where:
bonds (distance) C4'-P energy: -16.868
bonds (distance) P-C4' energy: -19.978
flat angles C4'-P-C4' energy: -20.003
flat angles P-C4'-P energy: -10.276
tors. eta vs tors. theta energy: -20.721
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 477
Temperature: 1.150000
Total energy: -239.383790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.383790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.383790 (E_RNA)
where:
Base-Base interactions energy: -160.387
where: short stacking energy: -65.591
Base-Backbone interact. energy: -0.160
local terms energy: -78.836928
where:
bonds (distance) C4'-P energy: -19.158
bonds (distance) P-C4' energy: -15.948
flat angles C4'-P-C4' energy: -19.312
flat angles P-C4'-P energy: -11.535
tors. eta vs tors. theta energy: -12.883
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 477
Temperature: 1.200000
Total energy: -212.163459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.163459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.163459 (E_RNA)
where:
Base-Base interactions energy: -139.920
where: short stacking energy: -67.119
Base-Backbone interact. energy: -0.128
local terms energy: -72.115186
where:
bonds (distance) C4'-P energy: -11.605
bonds (distance) P-C4' energy: -17.893
flat angles C4'-P-C4' energy: -17.495
flat angles P-C4'-P energy: -13.725
tors. eta vs tors. theta energy: -11.396
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 477
Temperature: 1.250000
Total energy: -233.247226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.247226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.247226 (E_RNA)
where:
Base-Base interactions energy: -155.743
where: short stacking energy: -71.484
Base-Backbone interact. energy: -0.405
local terms energy: -77.099272
where:
bonds (distance) C4'-P energy: -17.497
bonds (distance) P-C4' energy: -17.428
flat angles C4'-P-C4' energy: -14.682
flat angles P-C4'-P energy: -8.546
tors. eta vs tors. theta energy: -18.947
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 477
Temperature: 1.300000
Total energy: -228.052997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.052997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.052997 (E_RNA)
where:
Base-Base interactions energy: -142.487
where: short stacking energy: -76.042
Base-Backbone interact. energy: -0.968
local terms energy: -84.598893
where:
bonds (distance) C4'-P energy: -19.752
bonds (distance) P-C4' energy: -20.233
flat angles C4'-P-C4' energy: -12.437
flat angles P-C4'-P energy: -14.161
tors. eta vs tors. theta energy: -18.016
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 477
Temperature: 1.350000
Total energy: -218.371505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.371505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.371505 (E_RNA)
where:
Base-Base interactions energy: -145.390
where: short stacking energy: -77.630
Base-Backbone interact. energy: -0.116
local terms energy: -72.865818
where:
bonds (distance) C4'-P energy: -15.824
bonds (distance) P-C4' energy: -17.919
flat angles C4'-P-C4' energy: -13.272
flat angles P-C4'-P energy: -9.443
tors. eta vs tors. theta energy: -16.407
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 478
Temperature: 0.900000
Total energy: -349.511560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.511560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.511560 (E_RNA)
where:
Base-Base interactions energy: -251.006
where: short stacking energy: -102.751
Base-Backbone interact. energy: -1.365
local terms energy: -97.140544
where:
bonds (distance) C4'-P energy: -16.624
bonds (distance) P-C4' energy: -19.669
flat angles C4'-P-C4' energy: -19.558
flat angles P-C4'-P energy: -13.818
tors. eta vs tors. theta energy: -27.471
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 478
Temperature: 0.950000
Total energy: -333.414664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.414664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.414664 (E_RNA)
where:
Base-Base interactions energy: -238.634
where: short stacking energy: -91.948
Base-Backbone interact. energy: -0.557
local terms energy: -94.223625
where:
bonds (distance) C4'-P energy: -20.180
bonds (distance) P-C4' energy: -19.305
flat angles C4'-P-C4' energy: -19.813
flat angles P-C4'-P energy: -15.040
tors. eta vs tors. theta energy: -19.885
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 478
Temperature: 1.000000
Total energy: -316.230542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.230542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.230542 (E_RNA)
where:
Base-Base interactions energy: -221.541
where: short stacking energy: -90.110
Base-Backbone interact. energy: -0.725
local terms energy: -93.964459
where:
bonds (distance) C4'-P energy: -18.615
bonds (distance) P-C4' energy: -17.892
flat angles C4'-P-C4' energy: -20.919
flat angles P-C4'-P energy: -12.603
tors. eta vs tors. theta energy: -23.936
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 478
Temperature: 1.050000
Total energy: -294.229989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.229989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.229989 (E_RNA)
where:
Base-Base interactions energy: -193.372
where: short stacking energy: -94.877
Base-Backbone interact. energy: -0.696
local terms energy: -100.161503
where:
bonds (distance) C4'-P energy: -17.734
bonds (distance) P-C4' energy: -21.557
flat angles C4'-P-C4' energy: -16.301
flat angles P-C4'-P energy: -16.788
tors. eta vs tors. theta energy: -27.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 478
Temperature: 1.100000
Total energy: -236.402228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.402228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.402228 (E_RNA)
where:
Base-Base interactions energy: -154.646
where: short stacking energy: -75.712
Base-Backbone interact. energy: -0.316
local terms energy: -81.440256
where:
bonds (distance) C4'-P energy: -18.903
bonds (distance) P-C4' energy: -19.738
flat angles C4'-P-C4' energy: -14.976
flat angles P-C4'-P energy: -11.635
tors. eta vs tors. theta energy: -16.188
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 478
Temperature: 1.150000
Total energy: -238.257929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.257929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.257929 (E_RNA)
where:
Base-Base interactions energy: -164.374
where: short stacking energy: -62.695
Base-Backbone interact. energy: -0.204
local terms energy: -73.680909
where:
bonds (distance) C4'-P energy: -16.883
bonds (distance) P-C4' energy: -20.634
flat angles C4'-P-C4' energy: -16.282
flat angles P-C4'-P energy: -8.464
tors. eta vs tors. theta energy: -11.417
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 478
Temperature: 1.200000
Total energy: -219.536216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.536216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.536216 (E_RNA)
where:
Base-Base interactions energy: -135.689
where: short stacking energy: -67.825
Base-Backbone interact. energy: -0.103
local terms energy: -83.744618
where:
bonds (distance) C4'-P energy: -14.467
bonds (distance) P-C4' energy: -21.063
flat angles C4'-P-C4' energy: -20.900
flat angles P-C4'-P energy: -13.374
tors. eta vs tors. theta energy: -13.941
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 478
Temperature: 1.250000
Total energy: -235.584826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.584826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.584826 (E_RNA)
where:
Base-Base interactions energy: -155.236
where: short stacking energy: -69.042
Base-Backbone interact. energy: 0.676
local terms energy: -81.024468
where:
bonds (distance) C4'-P energy: -17.687
bonds (distance) P-C4' energy: -14.213
flat angles C4'-P-C4' energy: -19.105
flat angles P-C4'-P energy: -11.868
tors. eta vs tors. theta energy: -18.152
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 478
Temperature: 1.300000
Total energy: -215.251928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.251928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.251928 (E_RNA)
where:
Base-Base interactions energy: -146.807
where: short stacking energy: -58.575
Base-Backbone interact. energy: -0.173
local terms energy: -68.272240
where:
bonds (distance) C4'-P energy: -14.463
bonds (distance) P-C4' energy: -18.005
flat angles C4'-P-C4' energy: -12.412
flat angles P-C4'-P energy: -10.719
tors. eta vs tors. theta energy: -12.673
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 478
Temperature: 1.350000
Total energy: -211.204137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.204137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.204137 (E_RNA)
where:
Base-Base interactions energy: -135.247
where: short stacking energy: -59.959
Base-Backbone interact. energy: -0.140
local terms energy: -75.817110
where:
bonds (distance) C4'-P energy: -16.073
bonds (distance) P-C4' energy: -20.578
flat angles C4'-P-C4' energy: -19.528
flat angles P-C4'-P energy: -10.759
tors. eta vs tors. theta energy: -8.879
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 479
Temperature: 0.900000
Total energy: -344.208526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.208526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.208526 (E_RNA)
where:
Base-Base interactions energy: -246.098
where: short stacking energy: -101.652
Base-Backbone interact. energy: -0.831
local terms energy: -97.279620
where:
bonds (distance) C4'-P energy: -20.208
bonds (distance) P-C4' energy: -19.132
flat angles C4'-P-C4' energy: -17.068
flat angles P-C4'-P energy: -14.984
tors. eta vs tors. theta energy: -25.889
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 479
Temperature: 0.950000
Total energy: -329.760562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.760562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.760562 (E_RNA)
where:
Base-Base interactions energy: -230.856
where: short stacking energy: -85.940
Base-Backbone interact. energy: -1.476
local terms energy: -97.429069
where:
bonds (distance) C4'-P energy: -19.568
bonds (distance) P-C4' energy: -18.713
flat angles C4'-P-C4' energy: -21.357
flat angles P-C4'-P energy: -13.374
tors. eta vs tors. theta energy: -24.418
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 479
Temperature: 1.000000
Total energy: -329.402345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.402345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.402345 (E_RNA)
where:
Base-Base interactions energy: -225.201
where: short stacking energy: -90.334
Base-Backbone interact. energy: -1.238
local terms energy: -102.963801
where:
bonds (distance) C4'-P energy: -18.039
bonds (distance) P-C4' energy: -19.797
flat angles C4'-P-C4' energy: -21.445
flat angles P-C4'-P energy: -15.785
tors. eta vs tors. theta energy: -27.898
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 479
Temperature: 1.050000
Total energy: -287.724519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.724519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.724519 (E_RNA)
where:
Base-Base interactions energy: -194.471
where: short stacking energy: -88.156
Base-Backbone interact. energy: -0.668
local terms energy: -92.585793
where:
bonds (distance) C4'-P energy: -17.270
bonds (distance) P-C4' energy: -15.223
flat angles C4'-P-C4' energy: -23.119
flat angles P-C4'-P energy: -15.176
tors. eta vs tors. theta energy: -21.798
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 479
Temperature: 1.100000
Total energy: -255.424952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.424952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.424952 (E_RNA)
where:
Base-Base interactions energy: -166.713
where: short stacking energy: -85.492
Base-Backbone interact. energy: -0.156
local terms energy: -88.555884
where:
bonds (distance) C4'-P energy: -17.430
bonds (distance) P-C4' energy: -17.602
flat angles C4'-P-C4' energy: -18.854
flat angles P-C4'-P energy: -15.597
tors. eta vs tors. theta energy: -19.073
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 479
Temperature: 1.150000
Total energy: -245.110837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.110837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.110837 (E_RNA)
where:
Base-Base interactions energy: -157.093
where: short stacking energy: -76.726
Base-Backbone interact. energy: -0.134
local terms energy: -87.884051
where:
bonds (distance) C4'-P energy: -15.994
bonds (distance) P-C4' energy: -16.500
flat angles C4'-P-C4' energy: -20.959
flat angles P-C4'-P energy: -17.948
tors. eta vs tors. theta energy: -16.483
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 479
Temperature: 1.200000
Total energy: -230.802152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.802152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.802152 (E_RNA)
where:
Base-Base interactions energy: -151.239
where: short stacking energy: -66.927
Base-Backbone interact. energy: -0.409
local terms energy: -79.153546
where:
bonds (distance) C4'-P energy: -14.168
bonds (distance) P-C4' energy: -19.854
flat angles C4'-P-C4' energy: -20.868
flat angles P-C4'-P energy: -14.032
tors. eta vs tors. theta energy: -10.232
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 479
Temperature: 1.250000
Total energy: -237.883430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.883430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.883430 (E_RNA)
where:
Base-Base interactions energy: -147.271
where: short stacking energy: -62.705
Base-Backbone interact. energy: -0.006
local terms energy: -90.605825
where:
bonds (distance) C4'-P energy: -17.839
bonds (distance) P-C4' energy: -20.507
flat angles C4'-P-C4' energy: -18.404
flat angles P-C4'-P energy: -15.474
tors. eta vs tors. theta energy: -18.381
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 479
Temperature: 1.300000
Total energy: -219.048531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.048531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.048531 (E_RNA)
where:
Base-Base interactions energy: -146.073
where: short stacking energy: -62.206
Base-Backbone interact. energy: -0.181
local terms energy: -72.795390
where:
bonds (distance) C4'-P energy: -14.028
bonds (distance) P-C4' energy: -21.088
flat angles C4'-P-C4' energy: -12.521
flat angles P-C4'-P energy: -15.983
tors. eta vs tors. theta energy: -9.176
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 479
Temperature: 1.350000
Total energy: -211.899373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.899373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.899373 (E_RNA)
where:
Base-Base interactions energy: -140.010
where: short stacking energy: -51.501
Base-Backbone interact. energy: -0.202
local terms energy: -71.687414
where:
bonds (distance) C4'-P energy: -13.675
bonds (distance) P-C4' energy: -19.386
flat angles C4'-P-C4' energy: -14.501
flat angles P-C4'-P energy: -12.124
tors. eta vs tors. theta energy: -12.002
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 480
Temperature: 0.900000
Total energy: -343.630158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.630158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.630158 (E_RNA)
where:
Base-Base interactions energy: -244.883
where: short stacking energy: -98.953
Base-Backbone interact. energy: -0.173
local terms energy: -98.573874
where:
bonds (distance) C4'-P energy: -20.597
bonds (distance) P-C4' energy: -17.427
flat angles C4'-P-C4' energy: -21.531
flat angles P-C4'-P energy: -12.738
tors. eta vs tors. theta energy: -26.280
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 480
Temperature: 0.950000
Total energy: -341.284271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.284271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.284271 (E_RNA)
where:
Base-Base interactions energy: -238.377
where: short stacking energy: -94.569
Base-Backbone interact. energy: -1.725
local terms energy: -101.182914
where:
bonds (distance) C4'-P energy: -19.731
bonds (distance) P-C4' energy: -20.623
flat angles C4'-P-C4' energy: -21.478
flat angles P-C4'-P energy: -14.335
tors. eta vs tors. theta energy: -25.016
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 480
Temperature: 1.000000
Total energy: -324.343061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.343061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.343061 (E_RNA)
where:
Base-Base interactions energy: -221.863
where: short stacking energy: -92.532
Base-Backbone interact. energy: -0.779
local terms energy: -101.700737
where:
bonds (distance) C4'-P energy: -18.883
bonds (distance) P-C4' energy: -19.646
flat angles C4'-P-C4' energy: -18.031
flat angles P-C4'-P energy: -16.830
tors. eta vs tors. theta energy: -28.312
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 480
Temperature: 1.050000
Total energy: -293.503215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.503215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.503215 (E_RNA)
where:
Base-Base interactions energy: -201.423
where: short stacking energy: -94.354
Base-Backbone interact. energy: -0.143
local terms energy: -91.937370
where:
bonds (distance) C4'-P energy: -12.006
bonds (distance) P-C4' energy: -17.757
flat angles C4'-P-C4' energy: -22.293
flat angles P-C4'-P energy: -14.708
tors. eta vs tors. theta energy: -25.173
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 480
Temperature: 1.100000
Total energy: -256.166138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.166138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.166138 (E_RNA)
where:
Base-Base interactions energy: -168.779
where: short stacking energy: -69.979
Base-Backbone interact. energy: -0.659
local terms energy: -86.727588
where:
bonds (distance) C4'-P energy: -10.031
bonds (distance) P-C4' energy: -20.707
flat angles C4'-P-C4' energy: -22.516
flat angles P-C4'-P energy: -15.804
tors. eta vs tors. theta energy: -17.668
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 480
Temperature: 1.150000
Total energy: -247.732047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.732047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.732047 (E_RNA)
where:
Base-Base interactions energy: -161.438
where: short stacking energy: -87.482
Base-Backbone interact. energy: -0.183
local terms energy: -86.111008
where:
bonds (distance) C4'-P energy: -18.945
bonds (distance) P-C4' energy: -16.924
flat angles C4'-P-C4' energy: -18.798
flat angles P-C4'-P energy: -12.994
tors. eta vs tors. theta energy: -18.451
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 480
Temperature: 1.200000
Total energy: -231.792232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.792232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.792232 (E_RNA)
where:
Base-Base interactions energy: -149.452
where: short stacking energy: -70.236
Base-Backbone interact. energy: 2.865
local terms energy: -85.204891
where:
bonds (distance) C4'-P energy: -19.057
bonds (distance) P-C4' energy: -22.335
flat angles C4'-P-C4' energy: -18.933
flat angles P-C4'-P energy: -10.629
tors. eta vs tors. theta energy: -14.252
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 480
Temperature: 1.250000
Total energy: -230.922364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.922364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.922364 (E_RNA)
where:
Base-Base interactions energy: -146.828
where: short stacking energy: -57.259
Base-Backbone interact. energy: 0.713
local terms energy: -84.807117
where:
bonds (distance) C4'-P energy: -19.319
bonds (distance) P-C4' energy: -20.995
flat angles C4'-P-C4' energy: -11.755
flat angles P-C4'-P energy: -16.196
tors. eta vs tors. theta energy: -16.542
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 480
Temperature: 1.300000
Total energy: -231.991988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.991988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.991988 (E_RNA)
where:
Base-Base interactions energy: -150.561
where: short stacking energy: -65.163
Base-Backbone interact. energy: -0.109
local terms energy: -81.322197
where:
bonds (distance) C4'-P energy: -15.965
bonds (distance) P-C4' energy: -18.351
flat angles C4'-P-C4' energy: -20.642
flat angles P-C4'-P energy: -9.939
tors. eta vs tors. theta energy: -16.426
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 480
Temperature: 1.350000
Total energy: -206.811781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.811781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.811781 (E_RNA)
where:
Base-Base interactions energy: -134.569
where: short stacking energy: -52.374
Base-Backbone interact. energy: -0.576
local terms energy: -71.666138
where:
bonds (distance) C4'-P energy: -16.441
bonds (distance) P-C4' energy: -15.415
flat angles C4'-P-C4' energy: -19.882
flat angles P-C4'-P energy: -14.299
tors. eta vs tors. theta energy: -5.629
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 481
Temperature: 0.900000
Total energy: -339.978436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.978436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.978436 (E_RNA)
where:
Base-Base interactions energy: -238.462
where: short stacking energy: -94.133
Base-Backbone interact. energy: 0.025
local terms energy: -101.541272
where:
bonds (distance) C4'-P energy: -22.625
bonds (distance) P-C4' energy: -18.228
flat angles C4'-P-C4' energy: -21.725
flat angles P-C4'-P energy: -13.439
tors. eta vs tors. theta energy: -25.524
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 481
Temperature: 0.950000
Total energy: -328.796086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.796086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.796086 (E_RNA)
where:
Base-Base interactions energy: -224.280
where: short stacking energy: -98.569
Base-Backbone interact. energy: -0.995
local terms energy: -103.521105
where:
bonds (distance) C4'-P energy: -19.952
bonds (distance) P-C4' energy: -20.083
flat angles C4'-P-C4' energy: -23.942
flat angles P-C4'-P energy: -11.910
tors. eta vs tors. theta energy: -27.635
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 481
Temperature: 1.000000
Total energy: -328.472893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.472893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.472893 (E_RNA)
where:
Base-Base interactions energy: -236.188
where: short stacking energy: -84.977
Base-Backbone interact. energy: -0.271
local terms energy: -92.013885
where:
bonds (distance) C4'-P energy: -15.409
bonds (distance) P-C4' energy: -16.627
flat angles C4'-P-C4' energy: -22.794
flat angles P-C4'-P energy: -11.948
tors. eta vs tors. theta energy: -25.235
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 481
Temperature: 1.050000
Total energy: -263.952682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.952682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.952682 (E_RNA)
where:
Base-Base interactions energy: -176.269
where: short stacking energy: -75.094
Base-Backbone interact. energy: -0.002
local terms energy: -87.681505
where:
bonds (distance) C4'-P energy: -18.743
bonds (distance) P-C4' energy: -17.257
flat angles C4'-P-C4' energy: -19.954
flat angles P-C4'-P energy: -9.899
tors. eta vs tors. theta energy: -21.829
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 481
Temperature: 1.100000
Total energy: -273.502808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.502808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.502808 (E_RNA)
where:
Base-Base interactions energy: -183.551
where: short stacking energy: -77.688
Base-Backbone interact. energy: -0.049
local terms energy: -89.902686
where:
bonds (distance) C4'-P energy: -18.698
bonds (distance) P-C4' energy: -20.986
flat angles C4'-P-C4' energy: -18.885
flat angles P-C4'-P energy: -11.928
tors. eta vs tors. theta energy: -19.406
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 481
Temperature: 1.150000
Total energy: -233.724202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.724202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.724202 (E_RNA)
where:
Base-Base interactions energy: -158.822
where: short stacking energy: -63.416
Base-Backbone interact. energy: -0.791
local terms energy: -74.111067
where:
bonds (distance) C4'-P energy: -19.583
bonds (distance) P-C4' energy: -18.166
flat angles C4'-P-C4' energy: -15.875
flat angles P-C4'-P energy: -13.701
tors. eta vs tors. theta energy: -6.786
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 481
Temperature: 1.200000
Total energy: -241.368663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.368663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.368663 (E_RNA)
where:
Base-Base interactions energy: -151.026
where: short stacking energy: -69.857
Base-Backbone interact. energy: -0.107
local terms energy: -90.235128
where:
bonds (distance) C4'-P energy: -18.685
bonds (distance) P-C4' energy: -16.002
flat angles C4'-P-C4' energy: -19.939
flat angles P-C4'-P energy: -17.761
tors. eta vs tors. theta energy: -17.848
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 481
Temperature: 1.250000
Total energy: -229.009530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.009530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.009530 (E_RNA)
where:
Base-Base interactions energy: -151.798
where: short stacking energy: -66.124
Base-Backbone interact. energy: -0.163
local terms energy: -77.048985
where:
bonds (distance) C4'-P energy: -14.952
bonds (distance) P-C4' energy: -15.662
flat angles C4'-P-C4' energy: -18.731
flat angles P-C4'-P energy: -10.668
tors. eta vs tors. theta energy: -17.036
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 481
Temperature: 1.300000
Total energy: -208.479319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.479319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.479319 (E_RNA)
where:
Base-Base interactions energy: -137.823
where: short stacking energy: -61.070
Base-Backbone interact. energy: -0.191
local terms energy: -70.465272
where:
bonds (distance) C4'-P energy: -8.165
bonds (distance) P-C4' energy: -20.339
flat angles C4'-P-C4' energy: -20.310
flat angles P-C4'-P energy: -9.568
tors. eta vs tors. theta energy: -12.083
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 481
Temperature: 1.350000
Total energy: -225.432546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.432546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.432546 (E_RNA)
where:
Base-Base interactions energy: -153.442
where: short stacking energy: -74.625
Base-Backbone interact. energy: -0.156
local terms energy: -71.835213
where:
bonds (distance) C4'-P energy: -8.883
bonds (distance) P-C4' energy: -15.530
flat angles C4'-P-C4' energy: -21.839
flat angles P-C4'-P energy: -11.766
tors. eta vs tors. theta energy: -13.817
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 482
Temperature: 0.900000
Total energy: -331.981569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.981569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.981569 (E_RNA)
where:
Base-Base interactions energy: -240.767
where: short stacking energy: -95.247
Base-Backbone interact. energy: -0.954
local terms energy: -90.259979
where:
bonds (distance) C4'-P energy: -17.222
bonds (distance) P-C4' energy: -18.205
flat angles C4'-P-C4' energy: -20.580
flat angles P-C4'-P energy: -9.710
tors. eta vs tors. theta energy: -24.543
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 482
Temperature: 0.950000
Total energy: -331.620486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.620486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.620486 (E_RNA)
where:
Base-Base interactions energy: -237.460
where: short stacking energy: -97.620
Base-Backbone interact. energy: -0.269
local terms energy: -93.891486
where:
bonds (distance) C4'-P energy: -16.730
bonds (distance) P-C4' energy: -20.343
flat angles C4'-P-C4' energy: -20.370
flat angles P-C4'-P energy: -12.149
tors. eta vs tors. theta energy: -24.298
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 482
Temperature: 1.000000
Total energy: -326.568009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.568009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.568009 (E_RNA)
where:
Base-Base interactions energy: -230.193
where: short stacking energy: -89.097
Base-Backbone interact. energy: 0.342
local terms energy: -96.717041
where:
bonds (distance) C4'-P energy: -16.202
bonds (distance) P-C4' energy: -20.592
flat angles C4'-P-C4' energy: -22.824
flat angles P-C4'-P energy: -10.057
tors. eta vs tors. theta energy: -27.043
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 482
Temperature: 1.050000
Total energy: -255.558022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.558022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.558022 (E_RNA)
where:
Base-Base interactions energy: -163.703
where: short stacking energy: -86.773
Base-Backbone interact. energy: 0.735
local terms energy: -92.589807
where:
bonds (distance) C4'-P energy: -19.909
bonds (distance) P-C4' energy: -15.976
flat angles C4'-P-C4' energy: -23.026
flat angles P-C4'-P energy: -14.312
tors. eta vs tors. theta energy: -19.367
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 482
Temperature: 1.100000
Total energy: -271.773411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.773411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.773411 (E_RNA)
where:
Base-Base interactions energy: -187.847
where: short stacking energy: -87.088
Base-Backbone interact. energy: -0.291
local terms energy: -83.634825
where:
bonds (distance) C4'-P energy: -18.698
bonds (distance) P-C4' energy: -17.251
flat angles C4'-P-C4' energy: -19.169
flat angles P-C4'-P energy: -9.496
tors. eta vs tors. theta energy: -19.021
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 482
Temperature: 1.150000
Total energy: -261.404054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.404054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.404054 (E_RNA)
where:
Base-Base interactions energy: -182.401
where: short stacking energy: -76.934
Base-Backbone interact. energy: -0.952
local terms energy: -78.051323
where:
bonds (distance) C4'-P energy: -18.448
bonds (distance) P-C4' energy: -17.373
flat angles C4'-P-C4' energy: -11.574
flat angles P-C4'-P energy: -9.046
tors. eta vs tors. theta energy: -21.610
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 482
Temperature: 1.200000
Total energy: -246.734960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.734960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.734960 (E_RNA)
where:
Base-Base interactions energy: -156.271
where: short stacking energy: -75.373
Base-Backbone interact. energy: -0.017
local terms energy: -90.447165
where:
bonds (distance) C4'-P energy: -17.290
bonds (distance) P-C4' energy: -18.952
flat angles C4'-P-C4' energy: -19.958
flat angles P-C4'-P energy: -10.634
tors. eta vs tors. theta energy: -23.613
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 482
Temperature: 1.250000
Total energy: -215.882877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.882877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.882877 (E_RNA)
where:
Base-Base interactions energy: -131.861
where: short stacking energy: -65.095
Base-Backbone interact. energy: -0.397
local terms energy: -83.624792
where:
bonds (distance) C4'-P energy: -19.393
bonds (distance) P-C4' energy: -20.609
flat angles C4'-P-C4' energy: -21.789
flat angles P-C4'-P energy: -8.754
tors. eta vs tors. theta energy: -13.080
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 482
Temperature: 1.300000
Total energy: -227.838383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.838383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.838383 (E_RNA)
where:
Base-Base interactions energy: -157.674
where: short stacking energy: -72.295
Base-Backbone interact. energy: -0.585
local terms energy: -69.580129
where:
bonds (distance) C4'-P energy: -16.060
bonds (distance) P-C4' energy: -11.368
flat angles C4'-P-C4' energy: -14.648
flat angles P-C4'-P energy: -14.242
tors. eta vs tors. theta energy: -13.262
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 482
Temperature: 1.350000
Total energy: -227.093225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.093225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.093225 (E_RNA)
where:
Base-Base interactions energy: -140.036
where: short stacking energy: -72.066
Base-Backbone interact. energy: -0.271
local terms energy: -86.786065
where:
bonds (distance) C4'-P energy: -18.631
bonds (distance) P-C4' energy: -22.814
flat angles C4'-P-C4' energy: -16.068
flat angles P-C4'-P energy: -12.980
tors. eta vs tors. theta energy: -16.293
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 483
Temperature: 0.900000
Total energy: -331.751820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.751820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.751820 (E_RNA)
where:
Base-Base interactions energy: -229.352
where: short stacking energy: -95.387
Base-Backbone interact. energy: -1.329
local terms energy: -101.071015
where:
bonds (distance) C4'-P energy: -19.375
bonds (distance) P-C4' energy: -17.818
flat angles C4'-P-C4' energy: -21.580
flat angles P-C4'-P energy: -17.277
tors. eta vs tors. theta energy: -25.021
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 483
Temperature: 0.950000
Total energy: -333.198189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.198189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.198189 (E_RNA)
where:
Base-Base interactions energy: -234.095
where: short stacking energy: -90.721
Base-Backbone interact. energy: -0.424
local terms energy: -98.679535
where:
bonds (distance) C4'-P energy: -21.166
bonds (distance) P-C4' energy: -17.270
flat angles C4'-P-C4' energy: -18.442
flat angles P-C4'-P energy: -16.215
tors. eta vs tors. theta energy: -25.586
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 483
Temperature: 1.000000
Total energy: -332.100089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.100089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.100089 (E_RNA)
where:
Base-Base interactions energy: -241.652
where: short stacking energy: -95.518
Base-Backbone interact. energy: -0.218
local terms energy: -90.229832
where:
bonds (distance) C4'-P energy: -18.855
bonds (distance) P-C4' energy: -20.523
flat angles C4'-P-C4' energy: -16.936
flat angles P-C4'-P energy: -12.881
tors. eta vs tors. theta energy: -21.034
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 483
Temperature: 1.050000
Total energy: -293.408595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.408595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.408595 (E_RNA)
where:
Base-Base interactions energy: -203.827
where: short stacking energy: -92.721
Base-Backbone interact. energy: -0.232
local terms energy: -89.349017
where:
bonds (distance) C4'-P energy: -17.009
bonds (distance) P-C4' energy: -19.874
flat angles C4'-P-C4' energy: -19.801
flat angles P-C4'-P energy: -12.652
tors. eta vs tors. theta energy: -20.013
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 483
Temperature: 1.100000
Total energy: -247.445104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.445104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.445104 (E_RNA)
where:
Base-Base interactions energy: -158.167
where: short stacking energy: -75.529
Base-Backbone interact. energy: -0.244
local terms energy: -89.034738
where:
bonds (distance) C4'-P energy: -21.252
bonds (distance) P-C4' energy: -19.841
flat angles C4'-P-C4' energy: -22.617
flat angles P-C4'-P energy: -6.187
tors. eta vs tors. theta energy: -19.138
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 483
Temperature: 1.150000
Total energy: -274.927319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.927319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.927319 (E_RNA)
where:
Base-Base interactions energy: -185.738
where: short stacking energy: -80.501
Base-Backbone interact. energy: -0.679
local terms energy: -88.510211
where:
bonds (distance) C4'-P energy: -19.538
bonds (distance) P-C4' energy: -13.438
flat angles C4'-P-C4' energy: -22.438
flat angles P-C4'-P energy: -10.621
tors. eta vs tors. theta energy: -22.476
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 483
Temperature: 1.200000
Total energy: -217.695318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.695318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.695318 (E_RNA)
where:
Base-Base interactions energy: -139.846
where: short stacking energy: -70.077
Base-Backbone interact. energy: -0.195
local terms energy: -77.654052
where:
bonds (distance) C4'-P energy: -17.171
bonds (distance) P-C4' energy: -18.393
flat angles C4'-P-C4' energy: -15.995
flat angles P-C4'-P energy: -10.166
tors. eta vs tors. theta energy: -15.929
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 483
Temperature: 1.250000
Total energy: -230.572351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.572351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.572351 (E_RNA)
where:
Base-Base interactions energy: -159.845
where: short stacking energy: -75.647
Base-Backbone interact. energy: -0.284
local terms energy: -70.443036
where:
bonds (distance) C4'-P energy: -15.170
bonds (distance) P-C4' energy: -13.508
flat angles C4'-P-C4' energy: -17.247
flat angles P-C4'-P energy: -9.885
tors. eta vs tors. theta energy: -14.633
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 483
Temperature: 1.300000
Total energy: -220.636594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.636594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.636594 (E_RNA)
where:
Base-Base interactions energy: -147.600
where: short stacking energy: -69.209
Base-Backbone interact. energy: 0.153
local terms energy: -73.190529
where:
bonds (distance) C4'-P energy: -16.550
bonds (distance) P-C4' energy: -19.036
flat angles C4'-P-C4' energy: -16.667
flat angles P-C4'-P energy: -9.309
tors. eta vs tors. theta energy: -11.629
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 483
Temperature: 1.350000
Total energy: -216.649203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.649203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.649203 (E_RNA)
where:
Base-Base interactions energy: -147.041
where: short stacking energy: -66.503
Base-Backbone interact. energy: -0.022
local terms energy: -69.585592
where:
bonds (distance) C4'-P energy: -15.639
bonds (distance) P-C4' energy: -12.366
flat angles C4'-P-C4' energy: -13.406
flat angles P-C4'-P energy: -8.132
tors. eta vs tors. theta energy: -20.043
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 484
Temperature: 0.900000
Total energy: -347.019392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.019392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.019392 (E_RNA)
where:
Base-Base interactions energy: -248.026
where: short stacking energy: -94.399
Base-Backbone interact. energy: 1.287
local terms energy: -100.280791
where:
bonds (distance) C4'-P energy: -20.630
bonds (distance) P-C4' energy: -20.366
flat angles C4'-P-C4' energy: -19.957
flat angles P-C4'-P energy: -15.610
tors. eta vs tors. theta energy: -23.717
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 484
Temperature: 0.950000
Total energy: -325.926784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.926784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.926784 (E_RNA)
where:
Base-Base interactions energy: -230.625
where: short stacking energy: -99.610
Base-Backbone interact. energy: -0.538
local terms energy: -94.763656
where:
bonds (distance) C4'-P energy: -12.190
bonds (distance) P-C4' energy: -20.902
flat angles C4'-P-C4' energy: -22.949
flat angles P-C4'-P energy: -13.914
tors. eta vs tors. theta energy: -24.808
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 484
Temperature: 1.000000
Total energy: -346.013396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.013396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.013396 (E_RNA)
where:
Base-Base interactions energy: -248.347
where: short stacking energy: -98.488
Base-Backbone interact. energy: -0.231
local terms energy: -97.435510
where:
bonds (distance) C4'-P energy: -13.929
bonds (distance) P-C4' energy: -20.597
flat angles C4'-P-C4' energy: -21.839
flat angles P-C4'-P energy: -17.605
tors. eta vs tors. theta energy: -23.466
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 484
Temperature: 1.050000
Total energy: -284.792013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.792013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.792013 (E_RNA)
where:
Base-Base interactions energy: -187.511
where: short stacking energy: -90.597
Base-Backbone interact. energy: -0.444
local terms energy: -96.837016
where:
bonds (distance) C4'-P energy: -20.296
bonds (distance) P-C4' energy: -15.596
flat angles C4'-P-C4' energy: -20.542
flat angles P-C4'-P energy: -16.828
tors. eta vs tors. theta energy: -23.574
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 484
Temperature: 1.100000
Total energy: -257.275174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.275174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.275174 (E_RNA)
where:
Base-Base interactions energy: -170.020
where: short stacking energy: -83.574
Base-Backbone interact. energy: -0.376
local terms energy: -86.879834
where:
bonds (distance) C4'-P energy: -16.777
bonds (distance) P-C4' energy: -16.994
flat angles C4'-P-C4' energy: -17.942
flat angles P-C4'-P energy: -13.091
tors. eta vs tors. theta energy: -22.076
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 484
Temperature: 1.150000
Total energy: -250.114139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.114139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.114139 (E_RNA)
where:
Base-Base interactions energy: -167.493
where: short stacking energy: -63.455
Base-Backbone interact. energy: -0.400
local terms energy: -82.221274
where:
bonds (distance) C4'-P energy: -19.513
bonds (distance) P-C4' energy: -16.511
flat angles C4'-P-C4' energy: -20.023
flat angles P-C4'-P energy: -10.917
tors. eta vs tors. theta energy: -15.257
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 484
Temperature: 1.200000
Total energy: -232.342550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.342550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.342550 (E_RNA)
where:
Base-Base interactions energy: -145.449
where: short stacking energy: -64.238
Base-Backbone interact. energy: -0.087
local terms energy: -86.806631
where:
bonds (distance) C4'-P energy: -20.590
bonds (distance) P-C4' energy: -20.187
flat angles C4'-P-C4' energy: -16.928
flat angles P-C4'-P energy: -13.416
tors. eta vs tors. theta energy: -15.686
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 484
Temperature: 1.250000
Total energy: -243.982651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.982651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.982651 (E_RNA)
where:
Base-Base interactions energy: -171.077
where: short stacking energy: -67.658
Base-Backbone interact. energy: 1.172
local terms energy: -74.077497
where:
bonds (distance) C4'-P energy: -14.229
bonds (distance) P-C4' energy: -18.567
flat angles C4'-P-C4' energy: -16.213
flat angles P-C4'-P energy: -10.481
tors. eta vs tors. theta energy: -14.588
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 484
Temperature: 1.300000
Total energy: -220.968845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.968845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.968845 (E_RNA)
where:
Base-Base interactions energy: -141.924
where: short stacking energy: -67.367
Base-Backbone interact. energy: -0.223
local terms energy: -78.822036
where:
bonds (distance) C4'-P energy: -12.463
bonds (distance) P-C4' energy: -21.665
flat angles C4'-P-C4' energy: -13.947
flat angles P-C4'-P energy: -9.561
tors. eta vs tors. theta energy: -21.186
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 484
Temperature: 1.350000
Total energy: -214.289644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.289644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.289644 (E_RNA)
where:
Base-Base interactions energy: -147.335
where: short stacking energy: -56.690
Base-Backbone interact. energy: 1.685
local terms energy: -68.639772
where:
bonds (distance) C4'-P energy: -14.354
bonds (distance) P-C4' energy: -19.027
flat angles C4'-P-C4' energy: -19.937
flat angles P-C4'-P energy: -7.499
tors. eta vs tors. theta energy: -7.823
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 485
Temperature: 0.900000
Total energy: -344.286815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.286815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.286815 (E_RNA)
where:
Base-Base interactions energy: -243.274
where: short stacking energy: -85.477
Base-Backbone interact. energy: -0.303
local terms energy: -100.709545
where:
bonds (distance) C4'-P energy: -19.849
bonds (distance) P-C4' energy: -20.090
flat angles C4'-P-C4' energy: -24.154
flat angles P-C4'-P energy: -14.174
tors. eta vs tors. theta energy: -22.443
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 485
Temperature: 0.950000
Total energy: -344.649210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.649210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.649210 (E_RNA)
where:
Base-Base interactions energy: -251.019
where: short stacking energy: -107.014
Base-Backbone interact. energy: -0.353
local terms energy: -93.277053
where:
bonds (distance) C4'-P energy: -17.762
bonds (distance) P-C4' energy: -17.520
flat angles C4'-P-C4' energy: -21.075
flat angles P-C4'-P energy: -12.983
tors. eta vs tors. theta energy: -23.937
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 485
Temperature: 1.000000
Total energy: -324.341080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.341080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.341080 (E_RNA)
where:
Base-Base interactions energy: -226.624
where: short stacking energy: -95.417
Base-Backbone interact. energy: 0.266
local terms energy: -97.983329
where:
bonds (distance) C4'-P energy: -20.212
bonds (distance) P-C4' energy: -20.682
flat angles C4'-P-C4' energy: -18.608
flat angles P-C4'-P energy: -11.248
tors. eta vs tors. theta energy: -27.233
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 485
Temperature: 1.050000
Total energy: -277.153729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.153729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.153729 (E_RNA)
where:
Base-Base interactions energy: -189.556
where: short stacking energy: -79.510
Base-Backbone interact. energy: -0.340
local terms energy: -87.258471
where:
bonds (distance) C4'-P energy: -16.330
bonds (distance) P-C4' energy: -20.382
flat angles C4'-P-C4' energy: -22.629
flat angles P-C4'-P energy: -15.987
tors. eta vs tors. theta energy: -11.931
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 485
Temperature: 1.100000
Total energy: -274.437774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.437774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.437774 (E_RNA)
where:
Base-Base interactions energy: -190.869
where: short stacking energy: -87.280
Base-Backbone interact. energy: -0.286
local terms energy: -83.282821
where:
bonds (distance) C4'-P energy: -15.422
bonds (distance) P-C4' energy: -18.030
flat angles C4'-P-C4' energy: -19.161
flat angles P-C4'-P energy: -11.228
tors. eta vs tors. theta energy: -19.441
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 485
Temperature: 1.150000
Total energy: -252.785737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.785737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.785737 (E_RNA)
where:
Base-Base interactions energy: -170.325
where: short stacking energy: -73.906
Base-Backbone interact. energy: -0.138
local terms energy: -82.322698
where:
bonds (distance) C4'-P energy: -19.597
bonds (distance) P-C4' energy: -19.273
flat angles C4'-P-C4' energy: -19.422
flat angles P-C4'-P energy: -8.774
tors. eta vs tors. theta energy: -15.257
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 485
Temperature: 1.200000
Total energy: -269.270264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.270264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.270264 (E_RNA)
where:
Base-Base interactions energy: -174.574
where: short stacking energy: -78.739
Base-Backbone interact. energy: -1.214
local terms energy: -93.482921
where:
bonds (distance) C4'-P energy: -17.692
bonds (distance) P-C4' energy: -21.556
flat angles C4'-P-C4' energy: -13.044
flat angles P-C4'-P energy: -19.199
tors. eta vs tors. theta energy: -21.992
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 485
Temperature: 1.250000
Total energy: -232.067733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.067733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.067733 (E_RNA)
where:
Base-Base interactions energy: -158.419
where: short stacking energy: -69.814
Base-Backbone interact. energy: -0.525
local terms energy: -73.123306
where:
bonds (distance) C4'-P energy: -13.131
bonds (distance) P-C4' energy: -21.074
flat angles C4'-P-C4' energy: -11.283
flat angles P-C4'-P energy: -8.637
tors. eta vs tors. theta energy: -18.998
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 485
Temperature: 1.300000
Total energy: -223.910778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.910778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.910778 (E_RNA)
where:
Base-Base interactions energy: -142.553
where: short stacking energy: -72.190
Base-Backbone interact. energy: 0.621
local terms energy: -81.978610
where:
bonds (distance) C4'-P energy: -16.214
bonds (distance) P-C4' energy: -14.052
flat angles C4'-P-C4' energy: -22.211
flat angles P-C4'-P energy: -11.076
tors. eta vs tors. theta energy: -18.427
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 485
Temperature: 1.350000
Total energy: -220.573366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.573366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.573366 (E_RNA)
where:
Base-Base interactions energy: -144.091
where: short stacking energy: -57.432
Base-Backbone interact. energy: -0.112
local terms energy: -76.370219
where:
bonds (distance) C4'-P energy: -17.551
bonds (distance) P-C4' energy: -23.268
flat angles C4'-P-C4' energy: -15.235
flat angles P-C4'-P energy: -12.595
tors. eta vs tors. theta energy: -7.720
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 486
Temperature: 0.900000
Total energy: -346.278402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.278402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.278402 (E_RNA)
where:
Base-Base interactions energy: -250.269
where: short stacking energy: -101.334
Base-Backbone interact. energy: 0.164
local terms energy: -96.173558
where:
bonds (distance) C4'-P energy: -19.147
bonds (distance) P-C4' energy: -16.976
flat angles C4'-P-C4' energy: -21.659
flat angles P-C4'-P energy: -13.509
tors. eta vs tors. theta energy: -24.882
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 486
Temperature: 0.950000
Total energy: -336.675911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.675911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.675911 (E_RNA)
where:
Base-Base interactions energy: -240.098
where: short stacking energy: -90.187
Base-Backbone interact. energy: -0.306
local terms energy: -96.272018
where:
bonds (distance) C4'-P energy: -17.919
bonds (distance) P-C4' energy: -20.259
flat angles C4'-P-C4' energy: -19.922
flat angles P-C4'-P energy: -15.089
tors. eta vs tors. theta energy: -23.083
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 486
Temperature: 1.000000
Total energy: -283.095517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.095517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.095517 (E_RNA)
where:
Base-Base interactions energy: -201.819
where: short stacking energy: -84.754
Base-Backbone interact. energy: -0.259
local terms energy: -81.017949
where:
bonds (distance) C4'-P energy: -14.638
bonds (distance) P-C4' energy: -19.051
flat angles C4'-P-C4' energy: -21.177
flat angles P-C4'-P energy: -11.699
tors. eta vs tors. theta energy: -14.452
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 486
Temperature: 1.050000
Total energy: -313.825380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.825380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.825380 (E_RNA)
where:
Base-Base interactions energy: -219.105
where: short stacking energy: -97.078
Base-Backbone interact. energy: 0.688
local terms energy: -95.408391
where:
bonds (distance) C4'-P energy: -18.636
bonds (distance) P-C4' energy: -15.614
flat angles C4'-P-C4' energy: -22.741
flat angles P-C4'-P energy: -15.963
tors. eta vs tors. theta energy: -22.454
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 486
Temperature: 1.100000
Total energy: -273.822969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.822969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.822969 (E_RNA)
where:
Base-Base interactions energy: -187.122
where: short stacking energy: -79.791
Base-Backbone interact. energy: -0.018
local terms energy: -86.682266
where:
bonds (distance) C4'-P energy: -17.877
bonds (distance) P-C4' energy: -21.687
flat angles C4'-P-C4' energy: -15.037
flat angles P-C4'-P energy: -11.946
tors. eta vs tors. theta energy: -20.134
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 486
Temperature: 1.150000
Total energy: -256.981436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.981436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.981436 (E_RNA)
where:
Base-Base interactions energy: -171.485
where: short stacking energy: -86.236
Base-Backbone interact. energy: -0.021
local terms energy: -85.475890
where:
bonds (distance) C4'-P energy: -17.080
bonds (distance) P-C4' energy: -15.983
flat angles C4'-P-C4' energy: -20.171
flat angles P-C4'-P energy: -10.385
tors. eta vs tors. theta energy: -21.856
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 486
Temperature: 1.200000
Total energy: -248.524688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.524688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.524688 (E_RNA)
where:
Base-Base interactions energy: -155.408
where: short stacking energy: -70.033
Base-Backbone interact. energy: -0.081
local terms energy: -93.036106
where:
bonds (distance) C4'-P energy: -17.082
bonds (distance) P-C4' energy: -20.573
flat angles C4'-P-C4' energy: -19.456
flat angles P-C4'-P energy: -19.273
tors. eta vs tors. theta energy: -16.652
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 486
Temperature: 1.250000
Total energy: -236.111609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.111609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.111609 (E_RNA)
where:
Base-Base interactions energy: -160.338
where: short stacking energy: -71.921
Base-Backbone interact. energy: -0.136
local terms energy: -75.637910
where:
bonds (distance) C4'-P energy: -12.602
bonds (distance) P-C4' energy: -18.109
flat angles C4'-P-C4' energy: -12.596
flat angles P-C4'-P energy: -16.661
tors. eta vs tors. theta energy: -15.670
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 486
Temperature: 1.300000
Total energy: -234.547671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.547671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.547671 (E_RNA)
where:
Base-Base interactions energy: -159.045
where: short stacking energy: -79.334
Base-Backbone interact. energy: -0.179
local terms energy: -75.323822
where:
bonds (distance) C4'-P energy: -19.045
bonds (distance) P-C4' energy: -17.205
flat angles C4'-P-C4' energy: -18.487
flat angles P-C4'-P energy: -6.936
tors. eta vs tors. theta energy: -13.652
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 486
Temperature: 1.350000
Total energy: -216.987229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.987229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.987229 (E_RNA)
where:
Base-Base interactions energy: -145.562
where: short stacking energy: -59.965
Base-Backbone interact. energy: -0.092
local terms energy: -71.333313
where:
bonds (distance) C4'-P energy: -12.990
bonds (distance) P-C4' energy: -20.015
flat angles C4'-P-C4' energy: -19.068
flat angles P-C4'-P energy: -8.449
tors. eta vs tors. theta energy: -10.812
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 487
Temperature: 0.900000
Total energy: -348.544479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.544479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.544479 (E_RNA)
where:
Base-Base interactions energy: -253.055
where: short stacking energy: -95.846
Base-Backbone interact. energy: 0.329
local terms energy: -95.817915
where:
bonds (distance) C4'-P energy: -18.325
bonds (distance) P-C4' energy: -16.364
flat angles C4'-P-C4' energy: -23.565
flat angles P-C4'-P energy: -14.879
tors. eta vs tors. theta energy: -22.684
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 487
Temperature: 0.950000
Total energy: -330.814922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.814922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.814922 (E_RNA)
where:
Base-Base interactions energy: -233.381
where: short stacking energy: -91.821
Base-Backbone interact. energy: -0.979
local terms energy: -96.454774
where:
bonds (distance) C4'-P energy: -20.975
bonds (distance) P-C4' energy: -20.770
flat angles C4'-P-C4' energy: -15.376
flat angles P-C4'-P energy: -14.726
tors. eta vs tors. theta energy: -24.608
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 487
Temperature: 1.000000
Total energy: -285.180770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.180770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.180770 (E_RNA)
where:
Base-Base interactions energy: -198.198
where: short stacking energy: -83.791
Base-Backbone interact. energy: -0.851
local terms energy: -86.131699
where:
bonds (distance) C4'-P energy: -14.640
bonds (distance) P-C4' energy: -17.747
flat angles C4'-P-C4' energy: -18.725
flat angles P-C4'-P energy: -14.600
tors. eta vs tors. theta energy: -20.419
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 487
Temperature: 1.050000
Total energy: -305.538080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.538080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.538080 (E_RNA)
where:
Base-Base interactions energy: -218.238
where: short stacking energy: -84.943
Base-Backbone interact. energy: -0.734
local terms energy: -86.565348
where:
bonds (distance) C4'-P energy: -14.159
bonds (distance) P-C4' energy: -15.207
flat angles C4'-P-C4' energy: -21.597
flat angles P-C4'-P energy: -14.293
tors. eta vs tors. theta energy: -21.309
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 487
Temperature: 1.100000
Total energy: -265.152351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.152351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.152351 (E_RNA)
where:
Base-Base interactions energy: -179.329
where: short stacking energy: -90.455
Base-Backbone interact. energy: -0.121
local terms energy: -85.701650
where:
bonds (distance) C4'-P energy: -19.422
bonds (distance) P-C4' energy: -18.421
flat angles C4'-P-C4' energy: -16.789
flat angles P-C4'-P energy: -10.976
tors. eta vs tors. theta energy: -20.094
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 487
Temperature: 1.150000
Total energy: -263.020561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.020561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.020561 (E_RNA)
where:
Base-Base interactions energy: -163.464
where: short stacking energy: -82.508
Base-Backbone interact. energy: -0.090
local terms energy: -99.466332
where:
bonds (distance) C4'-P energy: -21.790
bonds (distance) P-C4' energy: -19.051
flat angles C4'-P-C4' energy: -19.395
flat angles P-C4'-P energy: -15.930
tors. eta vs tors. theta energy: -23.301
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 487
Temperature: 1.200000
Total energy: -255.860314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.860314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.860314 (E_RNA)
where:
Base-Base interactions energy: -163.553
where: short stacking energy: -76.427
Base-Backbone interact. energy: -0.242
local terms energy: -92.065442
where:
bonds (distance) C4'-P energy: -17.406
bonds (distance) P-C4' energy: -19.587
flat angles C4'-P-C4' energy: -21.042
flat angles P-C4'-P energy: -13.952
tors. eta vs tors. theta energy: -20.080
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 487
Temperature: 1.250000
Total energy: -219.429953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.429953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.429953 (E_RNA)
where:
Base-Base interactions energy: -137.190
where: short stacking energy: -51.815
Base-Backbone interact. energy: -0.319
local terms energy: -81.921671
where:
bonds (distance) C4'-P energy: -19.166
bonds (distance) P-C4' energy: -21.374
flat angles C4'-P-C4' energy: -16.357
flat angles P-C4'-P energy: -12.835
tors. eta vs tors. theta energy: -12.190
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 487
Temperature: 1.300000
Total energy: -225.926656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.926656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.926656 (E_RNA)
where:
Base-Base interactions energy: -147.408
where: short stacking energy: -55.511
Base-Backbone interact. energy: -0.340
local terms energy: -78.178322
where:
bonds (distance) C4'-P energy: -18.705
bonds (distance) P-C4' energy: -12.697
flat angles C4'-P-C4' energy: -16.656
flat angles P-C4'-P energy: -16.552
tors. eta vs tors. theta energy: -13.568
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 487
Temperature: 1.350000
Total energy: -214.127467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.127467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.127467 (E_RNA)
where:
Base-Base interactions energy: -134.977
where: short stacking energy: -44.970
Base-Backbone interact. energy: -2.224
local terms energy: -76.926043
where:
bonds (distance) C4'-P energy: -17.227
bonds (distance) P-C4' energy: -19.330
flat angles C4'-P-C4' energy: -17.114
flat angles P-C4'-P energy: -12.735
tors. eta vs tors. theta energy: -10.519
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 488
Temperature: 0.900000
Total energy: -345.552733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.552733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.552733 (E_RNA)
where:
Base-Base interactions energy: -246.914
where: short stacking energy: -97.660
Base-Backbone interact. energy: -0.216
local terms energy: -98.423477
where:
bonds (distance) C4'-P energy: -22.437
bonds (distance) P-C4' energy: -19.029
flat angles C4'-P-C4' energy: -19.564
flat angles P-C4'-P energy: -14.245
tors. eta vs tors. theta energy: -23.148
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 488
Temperature: 0.950000
Total energy: -340.974889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.974889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.974889 (E_RNA)
where:
Base-Base interactions energy: -240.983
where: short stacking energy: -95.067
Base-Backbone interact. energy: -0.702
local terms energy: -99.289740
where:
bonds (distance) C4'-P energy: -15.802
bonds (distance) P-C4' energy: -18.607
flat angles C4'-P-C4' energy: -24.377
flat angles P-C4'-P energy: -16.788
tors. eta vs tors. theta energy: -23.716
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 488
Temperature: 1.000000
Total energy: -315.159763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.159763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.159763 (E_RNA)
where:
Base-Base interactions energy: -220.117
where: short stacking energy: -80.055
Base-Backbone interact. energy: -0.911
local terms energy: -94.131219
where:
bonds (distance) C4'-P energy: -21.731
bonds (distance) P-C4' energy: -17.233
flat angles C4'-P-C4' energy: -20.122
flat angles P-C4'-P energy: -12.861
tors. eta vs tors. theta energy: -22.184
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 488
Temperature: 1.050000
Total energy: -295.382342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.382342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.382342 (E_RNA)
where:
Base-Base interactions energy: -201.412
where: short stacking energy: -74.611
Base-Backbone interact. energy: -0.933
local terms energy: -93.037338
where:
bonds (distance) C4'-P energy: -19.753
bonds (distance) P-C4' energy: -24.189
flat angles C4'-P-C4' energy: -18.618
flat angles P-C4'-P energy: -10.190
tors. eta vs tors. theta energy: -20.287
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 488
Temperature: 1.100000
Total energy: -264.218009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.218009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.218009 (E_RNA)
where:
Base-Base interactions energy: -165.250
where: short stacking energy: -87.920
Base-Backbone interact. energy: -0.020
local terms energy: -98.947967
where:
bonds (distance) C4'-P energy: -20.449
bonds (distance) P-C4' energy: -17.340
flat angles C4'-P-C4' energy: -19.237
flat angles P-C4'-P energy: -14.462
tors. eta vs tors. theta energy: -27.461
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 488
Temperature: 1.150000
Total energy: -265.231531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.231531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.231531 (E_RNA)
where:
Base-Base interactions energy: -175.548
where: short stacking energy: -74.432
Base-Backbone interact. energy: -0.188
local terms energy: -89.495810
where:
bonds (distance) C4'-P energy: -17.307
bonds (distance) P-C4' energy: -19.689
flat angles C4'-P-C4' energy: -18.163
flat angles P-C4'-P energy: -13.871
tors. eta vs tors. theta energy: -20.466
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 488
Temperature: 1.200000
Total energy: -219.319254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.319254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.319254 (E_RNA)
where:
Base-Base interactions energy: -136.200
where: short stacking energy: -60.444
Base-Backbone interact. energy: -0.165
local terms energy: -82.954243
where:
bonds (distance) C4'-P energy: -19.761
bonds (distance) P-C4' energy: -19.605
flat angles C4'-P-C4' energy: -19.957
flat angles P-C4'-P energy: -12.815
tors. eta vs tors. theta energy: -10.816
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 488
Temperature: 1.250000
Total energy: -232.333795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.333795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.333795 (E_RNA)
where:
Base-Base interactions energy: -154.407
where: short stacking energy: -74.942
Base-Backbone interact. energy: -0.045
local terms energy: -77.882404
where:
bonds (distance) C4'-P energy: -14.611
bonds (distance) P-C4' energy: -18.178
flat angles C4'-P-C4' energy: -15.977
flat angles P-C4'-P energy: -9.419
tors. eta vs tors. theta energy: -19.698
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 488
Temperature: 1.300000
Total energy: -217.557793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.557793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.557793 (E_RNA)
where:
Base-Base interactions energy: -136.265
where: short stacking energy: -62.832
Base-Backbone interact. energy: -0.377
local terms energy: -80.915895
where:
bonds (distance) C4'-P energy: -17.790
bonds (distance) P-C4' energy: -21.923
flat angles C4'-P-C4' energy: -14.862
flat angles P-C4'-P energy: -12.833
tors. eta vs tors. theta energy: -13.507
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 488
Temperature: 1.350000
Total energy: -199.606316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.606316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.606316 (E_RNA)
where:
Base-Base interactions energy: -133.132
where: short stacking energy: -62.577
Base-Backbone interact. energy: -0.110
local terms energy: -66.364636
where:
bonds (distance) C4'-P energy: -12.121
bonds (distance) P-C4' energy: -14.296
flat angles C4'-P-C4' energy: -20.094
flat angles P-C4'-P energy: -6.392
tors. eta vs tors. theta energy: -13.462
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 489
Temperature: 0.900000
Total energy: -349.463004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.463004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.463004 (E_RNA)
where:
Base-Base interactions energy: -249.504
where: short stacking energy: -98.645
Base-Backbone interact. energy: -0.924
local terms energy: -99.034760
where:
bonds (distance) C4'-P energy: -20.697
bonds (distance) P-C4' energy: -20.601
flat angles C4'-P-C4' energy: -20.932
flat angles P-C4'-P energy: -13.492
tors. eta vs tors. theta energy: -23.313
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 489
Temperature: 0.950000
Total energy: -349.650136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.650136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.650136 (E_RNA)
where:
Base-Base interactions energy: -246.461
where: short stacking energy: -100.205
Base-Backbone interact. energy: -0.461
local terms energy: -102.728020
where:
bonds (distance) C4'-P energy: -21.964
bonds (distance) P-C4' energy: -21.778
flat angles C4'-P-C4' energy: -20.896
flat angles P-C4'-P energy: -14.230
tors. eta vs tors. theta energy: -23.859
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 489
Temperature: 1.000000
Total energy: -323.617636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.617636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.617636 (E_RNA)
where:
Base-Base interactions energy: -228.126
where: short stacking energy: -90.377
Base-Backbone interact. energy: 0.066
local terms energy: -95.558033
where:
bonds (distance) C4'-P energy: -14.549
bonds (distance) P-C4' energy: -21.651
flat angles C4'-P-C4' energy: -18.249
flat angles P-C4'-P energy: -15.477
tors. eta vs tors. theta energy: -25.631
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 489
Temperature: 1.050000
Total energy: -289.163260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.163260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.163260 (E_RNA)
where:
Base-Base interactions energy: -199.737
where: short stacking energy: -83.253
Base-Backbone interact. energy: 0.550
local terms energy: -89.976771
where:
bonds (distance) C4'-P energy: -19.819
bonds (distance) P-C4' energy: -22.244
flat angles C4'-P-C4' energy: -18.806
flat angles P-C4'-P energy: -8.599
tors. eta vs tors. theta energy: -20.509
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 489
Temperature: 1.100000
Total energy: -241.002459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.002459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.002459 (E_RNA)
where:
Base-Base interactions energy: -159.644
where: short stacking energy: -75.000
Base-Backbone interact. energy: -0.048
local terms energy: -81.310170
where:
bonds (distance) C4'-P energy: -15.863
bonds (distance) P-C4' energy: -23.067
flat angles C4'-P-C4' energy: -16.915
flat angles P-C4'-P energy: -13.330
tors. eta vs tors. theta energy: -12.135
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 489
Temperature: 1.150000
Total energy: -251.212912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.212912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.212912 (E_RNA)
where:
Base-Base interactions energy: -164.289
where: short stacking energy: -76.154
Base-Backbone interact. energy: 1.180
local terms energy: -88.103659
where:
bonds (distance) C4'-P energy: -21.301
bonds (distance) P-C4' energy: -17.549
flat angles C4'-P-C4' energy: -19.388
flat angles P-C4'-P energy: -8.542
tors. eta vs tors. theta energy: -21.324
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 489
Temperature: 1.200000
Total energy: -230.982613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.982613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.982613 (E_RNA)
where:
Base-Base interactions energy: -150.711
where: short stacking energy: -71.004
Base-Backbone interact. energy: -0.032
local terms energy: -80.240333
where:
bonds (distance) C4'-P energy: -13.374
bonds (distance) P-C4' energy: -20.363
flat angles C4'-P-C4' energy: -19.177
flat angles P-C4'-P energy: -13.546
tors. eta vs tors. theta energy: -13.780
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 489
Temperature: 1.250000
Total energy: -232.061548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.061548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.061548 (E_RNA)
where:
Base-Base interactions energy: -151.782
where: short stacking energy: -68.972
Base-Backbone interact. energy: -0.272
local terms energy: -80.007431
where:
bonds (distance) C4'-P energy: -18.341
bonds (distance) P-C4' energy: -14.407
flat angles C4'-P-C4' energy: -18.610
flat angles P-C4'-P energy: -16.581
tors. eta vs tors. theta energy: -12.068
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 489
Temperature: 1.300000
Total energy: -231.699073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.699073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.699073 (E_RNA)
where:
Base-Base interactions energy: -144.534
where: short stacking energy: -72.350
Base-Backbone interact. energy: -0.561
local terms energy: -86.603512
where:
bonds (distance) C4'-P energy: -16.964
bonds (distance) P-C4' energy: -21.348
flat angles C4'-P-C4' energy: -15.397
flat angles P-C4'-P energy: -11.566
tors. eta vs tors. theta energy: -21.328
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 489
Temperature: 1.350000
Total energy: -193.053088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.053088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.053088 (E_RNA)
where:
Base-Base interactions energy: -122.977
where: short stacking energy: -53.319
Base-Backbone interact. energy: -0.246
local terms energy: -69.830152
where:
bonds (distance) C4'-P energy: -10.214
bonds (distance) P-C4' energy: -18.132
flat angles C4'-P-C4' energy: -16.547
flat angles P-C4'-P energy: -14.938
tors. eta vs tors. theta energy: -9.999
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 490
Temperature: 0.900000
Total energy: -350.227168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.227168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.227168 (E_RNA)
where:
Base-Base interactions energy: -253.369
where: short stacking energy: -100.595
Base-Backbone interact. energy: -0.295
local terms energy: -96.563323
where:
bonds (distance) C4'-P energy: -15.608
bonds (distance) P-C4' energy: -17.956
flat angles C4'-P-C4' energy: -24.299
flat angles P-C4'-P energy: -14.640
tors. eta vs tors. theta energy: -24.061
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 490
Temperature: 0.950000
Total energy: -336.220438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.220438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.220438 (E_RNA)
where:
Base-Base interactions energy: -241.422
where: short stacking energy: -98.810
Base-Backbone interact. energy: 1.172
local terms energy: -95.970057
where:
bonds (distance) C4'-P energy: -16.723
bonds (distance) P-C4' energy: -17.756
flat angles C4'-P-C4' energy: -21.309
flat angles P-C4'-P energy: -15.166
tors. eta vs tors. theta energy: -25.016
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 490
Temperature: 1.000000
Total energy: -327.510836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.510836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.510836 (E_RNA)
where:
Base-Base interactions energy: -229.412
where: short stacking energy: -97.146
Base-Backbone interact. energy: -1.377
local terms energy: -96.722104
where:
bonds (distance) C4'-P energy: -15.865
bonds (distance) P-C4' energy: -19.604
flat angles C4'-P-C4' energy: -20.434
flat angles P-C4'-P energy: -16.261
tors. eta vs tors. theta energy: -24.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 490
Temperature: 1.050000
Total energy: -262.246372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.246372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.246372 (E_RNA)
where:
Base-Base interactions energy: -172.320
where: short stacking energy: -75.415
Base-Backbone interact. energy: -0.187
local terms energy: -89.739105
where:
bonds (distance) C4'-P energy: -17.972
bonds (distance) P-C4' energy: -21.063
flat angles C4'-P-C4' energy: -19.433
flat angles P-C4'-P energy: -15.412
tors. eta vs tors. theta energy: -15.858
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 490
Temperature: 1.100000
Total energy: -253.669618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.669618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.669618 (E_RNA)
where:
Base-Base interactions energy: -170.555
where: short stacking energy: -70.228
Base-Backbone interact. energy: 0.081
local terms energy: -83.196467
where:
bonds (distance) C4'-P energy: -16.827
bonds (distance) P-C4' energy: -18.930
flat angles C4'-P-C4' energy: -18.282
flat angles P-C4'-P energy: -15.819
tors. eta vs tors. theta energy: -13.338
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 490
Temperature: 1.150000
Total energy: -246.604968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.604968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.604968 (E_RNA)
where:
Base-Base interactions energy: -161.404
where: short stacking energy: -71.975
Base-Backbone interact. energy: 0.361
local terms energy: -85.562210
where:
bonds (distance) C4'-P energy: -18.995
bonds (distance) P-C4' energy: -15.875
flat angles C4'-P-C4' energy: -20.374
flat angles P-C4'-P energy: -8.768
tors. eta vs tors. theta energy: -21.550
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 490
Temperature: 1.200000
Total energy: -224.680394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.680394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.680394 (E_RNA)
where:
Base-Base interactions energy: -153.660
where: short stacking energy: -77.395
Base-Backbone interact. energy: -0.479
local terms energy: -70.541791
where:
bonds (distance) C4'-P energy: -12.583
bonds (distance) P-C4' energy: -17.200
flat angles C4'-P-C4' energy: -11.771
flat angles P-C4'-P energy: -8.178
tors. eta vs tors. theta energy: -20.809
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 490
Temperature: 1.250000
Total energy: -233.211237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.211237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.211237 (E_RNA)
where:
Base-Base interactions energy: -153.642
where: short stacking energy: -72.482
Base-Backbone interact. energy: -0.098
local terms energy: -79.471477
where:
bonds (distance) C4'-P energy: -21.282
bonds (distance) P-C4' energy: -15.622
flat angles C4'-P-C4' energy: -13.231
flat angles P-C4'-P energy: -14.832
tors. eta vs tors. theta energy: -14.504
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 490
Temperature: 1.300000
Total energy: -214.760538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.760538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.760538 (E_RNA)
where:
Base-Base interactions energy: -140.785
where: short stacking energy: -67.337
Base-Backbone interact. energy: -0.223
local terms energy: -73.752417
where:
bonds (distance) C4'-P energy: -13.890
bonds (distance) P-C4' energy: -16.879
flat angles C4'-P-C4' energy: -17.863
flat angles P-C4'-P energy: -13.394
tors. eta vs tors. theta energy: -11.727
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 490
Temperature: 1.350000
Total energy: -215.404591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.404591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.404591 (E_RNA)
where:
Base-Base interactions energy: -145.265
where: short stacking energy: -56.524
Base-Backbone interact. energy: 1.969
local terms energy: -72.108746
where:
bonds (distance) C4'-P energy: -14.367
bonds (distance) P-C4' energy: -18.720
flat angles C4'-P-C4' energy: -16.881
flat angles P-C4'-P energy: -9.009
tors. eta vs tors. theta energy: -13.131
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 491
Temperature: 0.900000
Total energy: -344.736812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.736812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.736812 (E_RNA)
where:
Base-Base interactions energy: -255.269
where: short stacking energy: -98.561
Base-Backbone interact. energy: -0.579
local terms energy: -88.888217
where:
bonds (distance) C4'-P energy: -14.319
bonds (distance) P-C4' energy: -21.461
flat angles C4'-P-C4' energy: -18.378
flat angles P-C4'-P energy: -11.633
tors. eta vs tors. theta energy: -23.098
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 491
Temperature: 0.950000
Total energy: -327.553328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.553328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.553328 (E_RNA)
where:
Base-Base interactions energy: -226.433
where: short stacking energy: -91.843
Base-Backbone interact. energy: -0.931
local terms energy: -100.190095
where:
bonds (distance) C4'-P energy: -18.440
bonds (distance) P-C4' energy: -18.793
flat angles C4'-P-C4' energy: -21.820
flat angles P-C4'-P energy: -15.720
tors. eta vs tors. theta energy: -25.417
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 491
Temperature: 1.000000
Total energy: -340.009748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.009748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.009748 (E_RNA)
where:
Base-Base interactions energy: -241.420
where: short stacking energy: -103.651
Base-Backbone interact. energy: -0.482
local terms energy: -98.107809
where:
bonds (distance) C4'-P energy: -20.360
bonds (distance) P-C4' energy: -19.343
flat angles C4'-P-C4' energy: -19.056
flat angles P-C4'-P energy: -14.590
tors. eta vs tors. theta energy: -24.757
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 491
Temperature: 1.050000
Total energy: -260.010397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.010397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.010397 (E_RNA)
where:
Base-Base interactions energy: -185.159
where: short stacking energy: -73.573
Base-Backbone interact. energy: 0.998
local terms energy: -75.849456
where:
bonds (distance) C4'-P energy: -18.572
bonds (distance) P-C4' energy: -15.345
flat angles C4'-P-C4' energy: -19.771
flat angles P-C4'-P energy: -8.509
tors. eta vs tors. theta energy: -13.652
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 491
Temperature: 1.100000
Total energy: -251.641137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.641137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.641137 (E_RNA)
where:
Base-Base interactions energy: -169.696
where: short stacking energy: -69.913
Base-Backbone interact. energy: -0.233
local terms energy: -81.712106
where:
bonds (distance) C4'-P energy: -17.320
bonds (distance) P-C4' energy: -18.499
flat angles C4'-P-C4' energy: -18.885
flat angles P-C4'-P energy: -8.688
tors. eta vs tors. theta energy: -18.320
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 491
Temperature: 1.150000
Total energy: -253.249870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.249870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.249870 (E_RNA)
where:
Base-Base interactions energy: -168.300
where: short stacking energy: -76.672
Base-Backbone interact. energy: -0.155
local terms energy: -84.794650
where:
bonds (distance) C4'-P energy: -14.304
bonds (distance) P-C4' energy: -19.102
flat angles C4'-P-C4' energy: -18.013
flat angles P-C4'-P energy: -10.388
tors. eta vs tors. theta energy: -22.987
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 491
Temperature: 1.200000
Total energy: -251.214909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.214909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.214909 (E_RNA)
where:
Base-Base interactions energy: -165.652
where: short stacking energy: -69.977
Base-Backbone interact. energy: -0.202
local terms energy: -85.360788
where:
bonds (distance) C4'-P energy: -20.270
bonds (distance) P-C4' energy: -18.431
flat angles C4'-P-C4' energy: -15.856
flat angles P-C4'-P energy: -14.031
tors. eta vs tors. theta energy: -16.773
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 491
Temperature: 1.250000
Total energy: -237.117697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.117697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.117697 (E_RNA)
where:
Base-Base interactions energy: -152.512
where: short stacking energy: -64.632
Base-Backbone interact. energy: -0.126
local terms energy: -84.479789
where:
bonds (distance) C4'-P energy: -16.821
bonds (distance) P-C4' energy: -18.145
flat angles C4'-P-C4' energy: -17.802
flat angles P-C4'-P energy: -15.926
tors. eta vs tors. theta energy: -15.786
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 491
Temperature: 1.300000
Total energy: -235.394928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.394928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.394928 (E_RNA)
where:
Base-Base interactions energy: -154.122
where: short stacking energy: -65.613
Base-Backbone interact. energy: -0.145
local terms energy: -81.127864
where:
bonds (distance) C4'-P energy: -18.887
bonds (distance) P-C4' energy: -17.914
flat angles C4'-P-C4' energy: -13.472
flat angles P-C4'-P energy: -13.128
tors. eta vs tors. theta energy: -17.728
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 491
Temperature: 1.350000
Total energy: -225.984942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.984942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.984942 (E_RNA)
where:
Base-Base interactions energy: -140.759
where: short stacking energy: -55.636
Base-Backbone interact. energy: -0.090
local terms energy: -85.135959
where:
bonds (distance) C4'-P energy: -15.274
bonds (distance) P-C4' energy: -20.619
flat angles C4'-P-C4' energy: -21.736
flat angles P-C4'-P energy: -15.438
tors. eta vs tors. theta energy: -12.070
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 492
Temperature: 0.900000
Total energy: -333.756410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.756410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.756410 (E_RNA)
where:
Base-Base interactions energy: -234.570
where: short stacking energy: -98.820
Base-Backbone interact. energy: -1.138
local terms energy: -98.047718
where:
bonds (distance) C4'-P energy: -17.307
bonds (distance) P-C4' energy: -13.315
flat angles C4'-P-C4' energy: -24.835
flat angles P-C4'-P energy: -15.132
tors. eta vs tors. theta energy: -27.458
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 492
Temperature: 0.950000
Total energy: -331.827393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.827393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.827393 (E_RNA)
where:
Base-Base interactions energy: -238.316
where: short stacking energy: -96.699
Base-Backbone interact. energy: -0.809
local terms energy: -92.702451
where:
bonds (distance) C4'-P energy: -15.389
bonds (distance) P-C4' energy: -20.629
flat angles C4'-P-C4' energy: -16.833
flat angles P-C4'-P energy: -13.050
tors. eta vs tors. theta energy: -26.801
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 492
Temperature: 1.000000
Total energy: -335.970183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.970183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.970183 (E_RNA)
where:
Base-Base interactions energy: -240.190
where: short stacking energy: -97.864
Base-Backbone interact. energy: 0.387
local terms energy: -96.166355
where:
bonds (distance) C4'-P energy: -19.132
bonds (distance) P-C4' energy: -18.664
flat angles C4'-P-C4' energy: -20.777
flat angles P-C4'-P energy: -12.519
tors. eta vs tors. theta energy: -25.074
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 492
Temperature: 1.050000
Total energy: -280.203985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.203985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.203985 (E_RNA)
where:
Base-Base interactions energy: -205.875
where: short stacking energy: -75.028
Base-Backbone interact. energy: -0.288
local terms energy: -74.040947
where:
bonds (distance) C4'-P energy: -16.966
bonds (distance) P-C4' energy: -17.644
flat angles C4'-P-C4' energy: -19.564
flat angles P-C4'-P energy: -8.908
tors. eta vs tors. theta energy: -10.959
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 492
Temperature: 1.100000
Total energy: -254.911853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.911853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.911853 (E_RNA)
where:
Base-Base interactions energy: -170.129
where: short stacking energy: -73.834
Base-Backbone interact. energy: -0.357
local terms energy: -84.425320
where:
bonds (distance) C4'-P energy: -15.697
bonds (distance) P-C4' energy: -18.399
flat angles C4'-P-C4' energy: -18.519
flat angles P-C4'-P energy: -13.578
tors. eta vs tors. theta energy: -18.233
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 492
Temperature: 1.150000
Total energy: -232.633966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.633966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.633966 (E_RNA)
where:
Base-Base interactions energy: -155.321
where: short stacking energy: -62.826
Base-Backbone interact. energy: -1.065
local terms energy: -76.247927
where:
bonds (distance) C4'-P energy: -17.277
bonds (distance) P-C4' energy: -17.248
flat angles C4'-P-C4' energy: -14.733
flat angles P-C4'-P energy: -14.199
tors. eta vs tors. theta energy: -12.792
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 492
Temperature: 1.200000
Total energy: -230.367398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.367398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.367398 (E_RNA)
where:
Base-Base interactions energy: -150.971
where: short stacking energy: -67.850
Base-Backbone interact. energy: -1.106
local terms energy: -78.290819
where:
bonds (distance) C4'-P energy: -16.170
bonds (distance) P-C4' energy: -20.548
flat angles C4'-P-C4' energy: -14.574
flat angles P-C4'-P energy: -13.476
tors. eta vs tors. theta energy: -13.523
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 492
Temperature: 1.250000
Total energy: -214.638459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.638459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.638459 (E_RNA)
where:
Base-Base interactions energy: -140.341
where: short stacking energy: -70.459
Base-Backbone interact. energy: 0.559
local terms energy: -74.856035
where:
bonds (distance) C4'-P energy: -14.705
bonds (distance) P-C4' energy: -16.818
flat angles C4'-P-C4' energy: -17.543
flat angles P-C4'-P energy: -15.616
tors. eta vs tors. theta energy: -10.174
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 492
Temperature: 1.300000
Total energy: -223.049966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.049966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.049966 (E_RNA)
where:
Base-Base interactions energy: -141.385
where: short stacking energy: -71.719
Base-Backbone interact. energy: -0.203
local terms energy: -81.461984
where:
bonds (distance) C4'-P energy: -20.195
bonds (distance) P-C4' energy: -19.993
flat angles C4'-P-C4' energy: -17.360
flat angles P-C4'-P energy: -15.640
tors. eta vs tors. theta energy: -8.274
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 492
Temperature: 1.350000
Total energy: -209.838853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.838853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.838853 (E_RNA)
where:
Base-Base interactions energy: -145.380
where: short stacking energy: -62.549
Base-Backbone interact. energy: -0.148
local terms energy: -64.311373
where:
bonds (distance) C4'-P energy: -10.046
bonds (distance) P-C4' energy: -14.288
flat angles C4'-P-C4' energy: -20.368
flat angles P-C4'-P energy: -6.987
tors. eta vs tors. theta energy: -12.623
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 493
Temperature: 0.900000
Total energy: -335.485294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.485294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.485294 (E_RNA)
where:
Base-Base interactions energy: -232.390
where: short stacking energy: -100.584
Base-Backbone interact. energy: -0.530
local terms energy: -102.565393
where:
bonds (distance) C4'-P energy: -20.766
bonds (distance) P-C4' energy: -20.978
flat angles C4'-P-C4' energy: -19.076
flat angles P-C4'-P energy: -16.469
tors. eta vs tors. theta energy: -25.275
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 493
Temperature: 0.950000
Total energy: -351.134537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.134537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.134537 (E_RNA)
where:
Base-Base interactions energy: -254.132
where: short stacking energy: -98.012
Base-Backbone interact. energy: -0.258
local terms energy: -96.743840
where:
bonds (distance) C4'-P energy: -20.060
bonds (distance) P-C4' energy: -20.447
flat angles C4'-P-C4' energy: -18.421
flat angles P-C4'-P energy: -15.139
tors. eta vs tors. theta energy: -22.676
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 493
Temperature: 1.000000
Total energy: -332.642209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.642209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.642209 (E_RNA)
where:
Base-Base interactions energy: -233.215
where: short stacking energy: -94.033
Base-Backbone interact. energy: -0.561
local terms energy: -98.865744
where:
bonds (distance) C4'-P energy: -18.266
bonds (distance) P-C4' energy: -16.871
flat angles C4'-P-C4' energy: -23.293
flat angles P-C4'-P energy: -13.947
tors. eta vs tors. theta energy: -26.489
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 493
Temperature: 1.050000
Total energy: -276.352329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.352329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.352329 (E_RNA)
where:
Base-Base interactions energy: -187.245
where: short stacking energy: -77.839
Base-Backbone interact. energy: -0.081
local terms energy: -89.026177
where:
bonds (distance) C4'-P energy: -20.229
bonds (distance) P-C4' energy: -19.974
flat angles C4'-P-C4' energy: -18.948
flat angles P-C4'-P energy: -15.031
tors. eta vs tors. theta energy: -14.845
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 493
Temperature: 1.100000
Total energy: -252.283655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.283655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.283655 (E_RNA)
where:
Base-Base interactions energy: -169.610
where: short stacking energy: -87.013
Base-Backbone interact. energy: -0.325
local terms energy: -82.348582
where:
bonds (distance) C4'-P energy: -14.752
bonds (distance) P-C4' energy: -16.364
flat angles C4'-P-C4' energy: -21.327
flat angles P-C4'-P energy: -9.719
tors. eta vs tors. theta energy: -20.186
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 493
Temperature: 1.150000
Total energy: -258.920403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.920403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.920403 (E_RNA)
where:
Base-Base interactions energy: -176.208
where: short stacking energy: -93.439
Base-Backbone interact. energy: 0.476
local terms energy: -83.188635
where:
bonds (distance) C4'-P energy: -14.019
bonds (distance) P-C4' energy: -19.916
flat angles C4'-P-C4' energy: -19.868
flat angles P-C4'-P energy: -5.678
tors. eta vs tors. theta energy: -23.707
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 493
Temperature: 1.200000
Total energy: -241.837897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.837897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.837897 (E_RNA)
where:
Base-Base interactions energy: -158.242
where: short stacking energy: -70.320
Base-Backbone interact. energy: 2.049
local terms energy: -85.644748
where:
bonds (distance) C4'-P energy: -16.329
bonds (distance) P-C4' energy: -18.382
flat angles C4'-P-C4' energy: -19.526
flat angles P-C4'-P energy: -13.879
tors. eta vs tors. theta energy: -17.528
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 493
Temperature: 1.250000
Total energy: -216.175959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.175959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.175959 (E_RNA)
where:
Base-Base interactions energy: -139.735
where: short stacking energy: -61.074
Base-Backbone interact. energy: -0.478
local terms energy: -75.963243
where:
bonds (distance) C4'-P energy: -16.806
bonds (distance) P-C4' energy: -20.636
flat angles C4'-P-C4' energy: -18.041
flat angles P-C4'-P energy: -10.439
tors. eta vs tors. theta energy: -10.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 493
Temperature: 1.300000
Total energy: -217.365853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.365853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.365853 (E_RNA)
where:
Base-Base interactions energy: -142.236
where: short stacking energy: -74.926
Base-Backbone interact. energy: -0.136
local terms energy: -74.994257
where:
bonds (distance) C4'-P energy: -16.173
bonds (distance) P-C4' energy: -15.859
flat angles C4'-P-C4' energy: -21.496
flat angles P-C4'-P energy: -5.594
tors. eta vs tors. theta energy: -15.873
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 493
Temperature: 1.350000
Total energy: -209.209478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.209478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.209478 (E_RNA)
where:
Base-Base interactions energy: -129.982
where: short stacking energy: -53.524
Base-Backbone interact. energy: -0.663
local terms energy: -78.564017
where:
bonds (distance) C4'-P energy: -12.603
bonds (distance) P-C4' energy: -19.036
flat angles C4'-P-C4' energy: -20.529
flat angles P-C4'-P energy: -14.797
tors. eta vs tors. theta energy: -11.600
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 494
Temperature: 0.900000
Total energy: -350.015693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.015693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.015693 (E_RNA)
where:
Base-Base interactions energy: -260.517
where: short stacking energy: -101.893
Base-Backbone interact. energy: -1.248
local terms energy: -88.250653
where:
bonds (distance) C4'-P energy: -13.754
bonds (distance) P-C4' energy: -22.680
flat angles C4'-P-C4' energy: -16.302
flat angles P-C4'-P energy: -10.234
tors. eta vs tors. theta energy: -25.281
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 494
Temperature: 0.950000
Total energy: -332.027870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.027870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.027870 (E_RNA)
where:
Base-Base interactions energy: -237.565
where: short stacking energy: -96.781
Base-Backbone interact. energy: 2.407
local terms energy: -96.870043
where:
bonds (distance) C4'-P energy: -15.784
bonds (distance) P-C4' energy: -22.979
flat angles C4'-P-C4' energy: -17.266
flat angles P-C4'-P energy: -14.071
tors. eta vs tors. theta energy: -26.771
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 494
Temperature: 1.000000
Total energy: -328.543687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.543687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.543687 (E_RNA)
where:
Base-Base interactions energy: -238.059
where: short stacking energy: -90.839
Base-Backbone interact. energy: -0.177
local terms energy: -90.308278
where:
bonds (distance) C4'-P energy: -18.726
bonds (distance) P-C4' energy: -15.153
flat angles C4'-P-C4' energy: -17.065
flat angles P-C4'-P energy: -12.191
tors. eta vs tors. theta energy: -27.174
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 494
Temperature: 1.050000
Total energy: -263.044947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.044947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.044947 (E_RNA)
where:
Base-Base interactions energy: -184.165
where: short stacking energy: -76.779
Base-Backbone interact. energy: -0.072
local terms energy: -78.807533
where:
bonds (distance) C4'-P energy: -16.689
bonds (distance) P-C4' energy: -17.880
flat angles C4'-P-C4' energy: -16.879
flat angles P-C4'-P energy: -14.676
tors. eta vs tors. theta energy: -12.684
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 494
Temperature: 1.100000
Total energy: -266.827211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.827211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.827211 (E_RNA)
where:
Base-Base interactions energy: -169.946
where: short stacking energy: -84.726
Base-Backbone interact. energy: -0.570
local terms energy: -96.310886
where:
bonds (distance) C4'-P energy: -20.051
bonds (distance) P-C4' energy: -19.480
flat angles C4'-P-C4' energy: -18.789
flat angles P-C4'-P energy: -15.665
tors. eta vs tors. theta energy: -22.326
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 494
Temperature: 1.150000
Total energy: -259.938040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.938040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.938040 (E_RNA)
where:
Base-Base interactions energy: -180.389
where: short stacking energy: -78.525
Base-Backbone interact. energy: 1.117
local terms energy: -80.665325
where:
bonds (distance) C4'-P energy: -13.932
bonds (distance) P-C4' energy: -18.459
flat angles C4'-P-C4' energy: -16.512
flat angles P-C4'-P energy: -11.547
tors. eta vs tors. theta energy: -20.215
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 494
Temperature: 1.200000
Total energy: -251.884868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.884868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.884868 (E_RNA)
where:
Base-Base interactions energy: -160.827
where: short stacking energy: -78.431
Base-Backbone interact. energy: -0.055
local terms energy: -91.003423
where:
bonds (distance) C4'-P energy: -17.081
bonds (distance) P-C4' energy: -16.173
flat angles C4'-P-C4' energy: -17.898
flat angles P-C4'-P energy: -15.024
tors. eta vs tors. theta energy: -24.826
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 494
Temperature: 1.250000
Total energy: -214.890403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.890403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.890403 (E_RNA)
where:
Base-Base interactions energy: -135.287
where: short stacking energy: -68.450
Base-Backbone interact. energy: -0.232
local terms energy: -79.371452
where:
bonds (distance) C4'-P energy: -17.090
bonds (distance) P-C4' energy: -19.294
flat angles C4'-P-C4' energy: -17.821
flat angles P-C4'-P energy: -10.015
tors. eta vs tors. theta energy: -15.152
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 494
Temperature: 1.300000
Total energy: -219.107730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.107730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.107730 (E_RNA)
where:
Base-Base interactions energy: -141.295
where: short stacking energy: -64.395
Base-Backbone interact. energy: 1.069
local terms energy: -78.881561
where:
bonds (distance) C4'-P energy: -16.520
bonds (distance) P-C4' energy: -23.230
flat angles C4'-P-C4' energy: -16.352
flat angles P-C4'-P energy: -11.435
tors. eta vs tors. theta energy: -11.344
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 494
Temperature: 1.350000
Total energy: -184.192098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.192098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.192098 (E_RNA)
where:
Base-Base interactions energy: -110.655
where: short stacking energy: -44.307
Base-Backbone interact. energy: -0.385
local terms energy: -73.152559
where:
bonds (distance) C4'-P energy: -15.576
bonds (distance) P-C4' energy: -17.417
flat angles C4'-P-C4' energy: -19.597
flat angles P-C4'-P energy: -14.715
tors. eta vs tors. theta energy: -5.848
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 495
Temperature: 0.900000
Total energy: -351.465836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.465836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.465836 (E_RNA)
where:
Base-Base interactions energy: -251.671
where: short stacking energy: -98.471
Base-Backbone interact. energy: 0.214
local terms energy: -100.008614
where:
bonds (distance) C4'-P energy: -18.854
bonds (distance) P-C4' energy: -20.312
flat angles C4'-P-C4' energy: -21.596
flat angles P-C4'-P energy: -13.612
tors. eta vs tors. theta energy: -25.635
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 495
Temperature: 0.950000
Total energy: -340.518483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.518483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.518483 (E_RNA)
where:
Base-Base interactions energy: -240.550
where: short stacking energy: -98.266
Base-Backbone interact. energy: -0.589
local terms energy: -99.379893
where:
bonds (distance) C4'-P energy: -21.860
bonds (distance) P-C4' energy: -21.884
flat angles C4'-P-C4' energy: -21.026
flat angles P-C4'-P energy: -11.052
tors. eta vs tors. theta energy: -23.558
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 495
Temperature: 1.000000
Total energy: -323.280252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.280252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.280252 (E_RNA)
where:
Base-Base interactions energy: -225.649
where: short stacking energy: -96.335
Base-Backbone interact. energy: -2.108
local terms energy: -95.523483
where:
bonds (distance) C4'-P energy: -21.243
bonds (distance) P-C4' energy: -16.118
flat angles C4'-P-C4' energy: -21.831
flat angles P-C4'-P energy: -13.416
tors. eta vs tors. theta energy: -22.915
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 495
Temperature: 1.050000
Total energy: -255.911332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.911332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.911332 (E_RNA)
where:
Base-Base interactions energy: -173.094
where: short stacking energy: -82.544
Base-Backbone interact. energy: -0.139
local terms energy: -82.679082
where:
bonds (distance) C4'-P energy: -18.204
bonds (distance) P-C4' energy: -16.094
flat angles C4'-P-C4' energy: -15.846
flat angles P-C4'-P energy: -12.435
tors. eta vs tors. theta energy: -20.100
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 495
Temperature: 1.100000
Total energy: -255.738687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.738687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.738687 (E_RNA)
where:
Base-Base interactions energy: -175.079
where: short stacking energy: -72.697
Base-Backbone interact. energy: -0.111
local terms energy: -80.549478
where:
bonds (distance) C4'-P energy: -15.277
bonds (distance) P-C4' energy: -22.856
flat angles C4'-P-C4' energy: -18.183
flat angles P-C4'-P energy: -6.434
tors. eta vs tors. theta energy: -17.799
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 495
Temperature: 1.150000
Total energy: -253.423955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.423955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.423955 (E_RNA)
where:
Base-Base interactions energy: -167.513
where: short stacking energy: -77.628
Base-Backbone interact. energy: -1.483
local terms energy: -84.427953
where:
bonds (distance) C4'-P energy: -16.011
bonds (distance) P-C4' energy: -17.388
flat angles C4'-P-C4' energy: -18.184
flat angles P-C4'-P energy: -15.660
tors. eta vs tors. theta energy: -17.184
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 495
Temperature: 1.200000
Total energy: -234.354308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.354308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.354308 (E_RNA)
where:
Base-Base interactions energy: -153.368
where: short stacking energy: -61.711
Base-Backbone interact. energy: -0.199
local terms energy: -80.787055
where:
bonds (distance) C4'-P energy: -18.470
bonds (distance) P-C4' energy: -17.205
flat angles C4'-P-C4' energy: -16.299
flat angles P-C4'-P energy: -10.543
tors. eta vs tors. theta energy: -18.271
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 495
Temperature: 1.250000
Total energy: -224.982558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.982558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.982558 (E_RNA)
where:
Base-Base interactions energy: -145.003
where: short stacking energy: -81.575
Base-Backbone interact. energy: -0.417
local terms energy: -79.562806
where:
bonds (distance) C4'-P energy: -15.475
bonds (distance) P-C4' energy: -17.170
flat angles C4'-P-C4' energy: -17.905
flat angles P-C4'-P energy: -9.122
tors. eta vs tors. theta energy: -19.891
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 495
Temperature: 1.300000
Total energy: -195.835247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.835247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.835247 (E_RNA)
where:
Base-Base interactions energy: -121.067
where: short stacking energy: -52.694
Base-Backbone interact. energy: -0.340
local terms energy: -74.429005
where:
bonds (distance) C4'-P energy: -20.502
bonds (distance) P-C4' energy: -15.435
flat angles C4'-P-C4' energy: -16.519
flat angles P-C4'-P energy: -11.867
tors. eta vs tors. theta energy: -10.106
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 495
Temperature: 1.350000
Total energy: -200.783480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.783480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.783480 (E_RNA)
where:
Base-Base interactions energy: -134.072
where: short stacking energy: -58.036
Base-Backbone interact. energy: -0.288
local terms energy: -66.423669
where:
bonds (distance) C4'-P energy: -17.363
bonds (distance) P-C4' energy: -20.165
flat angles C4'-P-C4' energy: -15.782
flat angles P-C4'-P energy: -6.150
tors. eta vs tors. theta energy: -6.963
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 496
Temperature: 0.900000
Total energy: -343.929805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.929805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.929805 (E_RNA)
where:
Base-Base interactions energy: -247.692
where: short stacking energy: -101.767
Base-Backbone interact. energy: -0.223
local terms energy: -96.015533
where:
bonds (distance) C4'-P energy: -21.069
bonds (distance) P-C4' energy: -16.414
flat angles C4'-P-C4' energy: -21.306
flat angles P-C4'-P energy: -11.771
tors. eta vs tors. theta energy: -25.455
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 496
Temperature: 0.950000
Total energy: -345.779816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.779816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.779816 (E_RNA)
where:
Base-Base interactions energy: -253.542
where: short stacking energy: -95.272
Base-Backbone interact. energy: -0.481
local terms energy: -91.756643
where:
bonds (distance) C4'-P energy: -16.506
bonds (distance) P-C4' energy: -15.272
flat angles C4'-P-C4' energy: -18.602
flat angles P-C4'-P energy: -15.960
tors. eta vs tors. theta energy: -25.417
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 496
Temperature: 1.000000
Total energy: -333.149546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.149546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.149546 (E_RNA)
where:
Base-Base interactions energy: -233.684
where: short stacking energy: -104.670
Base-Backbone interact. energy: -0.826
local terms energy: -98.639085
where:
bonds (distance) C4'-P energy: -16.147
bonds (distance) P-C4' energy: -24.231
flat angles C4'-P-C4' energy: -20.737
flat angles P-C4'-P energy: -11.326
tors. eta vs tors. theta energy: -26.197
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 496
Temperature: 1.050000
Total energy: -242.304511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.304511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.304511 (E_RNA)
where:
Base-Base interactions energy: -156.531
where: short stacking energy: -64.192
Base-Backbone interact. energy: -0.398
local terms energy: -85.374638
where:
bonds (distance) C4'-P energy: -19.256
bonds (distance) P-C4' energy: -21.525
flat angles C4'-P-C4' energy: -16.074
flat angles P-C4'-P energy: -13.680
tors. eta vs tors. theta energy: -14.839
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 496
Temperature: 1.100000
Total energy: -261.754591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.754591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.754591 (E_RNA)
where:
Base-Base interactions energy: -170.065
where: short stacking energy: -84.549
Base-Backbone interact. energy: -1.406
local terms energy: -90.283996
where:
bonds (distance) C4'-P energy: -16.895
bonds (distance) P-C4' energy: -21.080
flat angles C4'-P-C4' energy: -19.000
flat angles P-C4'-P energy: -12.870
tors. eta vs tors. theta energy: -20.438
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 496
Temperature: 1.150000
Total energy: -245.497500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.497500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.497500 (E_RNA)
where:
Base-Base interactions energy: -164.503
where: short stacking energy: -64.299
Base-Backbone interact. energy: -0.860
local terms energy: -80.134741
where:
bonds (distance) C4'-P energy: -20.060
bonds (distance) P-C4' energy: -21.707
flat angles C4'-P-C4' energy: -16.235
flat angles P-C4'-P energy: -10.551
tors. eta vs tors. theta energy: -11.582
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 496
Temperature: 1.200000
Total energy: -228.720367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.720367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.720367 (E_RNA)
where:
Base-Base interactions energy: -143.355
where: short stacking energy: -61.993
Base-Backbone interact. energy: -0.222
local terms energy: -85.143381
where:
bonds (distance) C4'-P energy: -19.270
bonds (distance) P-C4' energy: -20.859
flat angles C4'-P-C4' energy: -18.930
flat angles P-C4'-P energy: -12.567
tors. eta vs tors. theta energy: -13.518
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 496
Temperature: 1.250000
Total energy: -233.238758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.238758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.238758 (E_RNA)
where:
Base-Base interactions energy: -161.887
where: short stacking energy: -67.884
Base-Backbone interact. energy: -0.830
local terms energy: -70.522057
where:
bonds (distance) C4'-P energy: -13.713
bonds (distance) P-C4' energy: -17.875
flat angles C4'-P-C4' energy: -16.038
flat angles P-C4'-P energy: -8.171
tors. eta vs tors. theta energy: -14.725
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 496
Temperature: 1.300000
Total energy: -211.292494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.292494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.292494 (E_RNA)
where:
Base-Base interactions energy: -131.407
where: short stacking energy: -59.817
Base-Backbone interact. energy: -0.384
local terms energy: -79.500662
where:
bonds (distance) C4'-P energy: -19.625
bonds (distance) P-C4' energy: -20.269
flat angles C4'-P-C4' energy: -18.648
flat angles P-C4'-P energy: -11.719
tors. eta vs tors. theta energy: -9.239
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 496
Temperature: 1.350000
Total energy: -184.745525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.745525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.745525 (E_RNA)
where:
Base-Base interactions energy: -116.962
where: short stacking energy: -51.033
Base-Backbone interact. energy: -0.182
local terms energy: -67.601635
where:
bonds (distance) C4'-P energy: -17.032
bonds (distance) P-C4' energy: -19.640
flat angles C4'-P-C4' energy: -10.629
flat angles P-C4'-P energy: -12.130
tors. eta vs tors. theta energy: -8.171
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 497
Temperature: 0.900000
Total energy: -348.953303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.953303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.953303 (E_RNA)
where:
Base-Base interactions energy: -249.749
where: short stacking energy: -99.417
Base-Backbone interact. energy: -0.395
local terms energy: -98.810043
where:
bonds (distance) C4'-P energy: -17.555
bonds (distance) P-C4' energy: -20.085
flat angles C4'-P-C4' energy: -22.441
flat angles P-C4'-P energy: -13.743
tors. eta vs tors. theta energy: -24.986
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 497
Temperature: 0.950000
Total energy: -333.869274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.869274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.869274 (E_RNA)
where:
Base-Base interactions energy: -236.736
where: short stacking energy: -103.010
Base-Backbone interact. energy: -0.806
local terms energy: -96.327417
where:
bonds (distance) C4'-P energy: -16.250
bonds (distance) P-C4' energy: -19.995
flat angles C4'-P-C4' energy: -20.254
flat angles P-C4'-P energy: -15.711
tors. eta vs tors. theta energy: -24.118
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 497
Temperature: 1.000000
Total energy: -341.601967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.601967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.601967 (E_RNA)
where:
Base-Base interactions energy: -248.049
where: short stacking energy: -97.378
Base-Backbone interact. energy: -1.605
local terms energy: -91.947635
where:
bonds (distance) C4'-P energy: -17.340
bonds (distance) P-C4' energy: -18.817
flat angles C4'-P-C4' energy: -20.390
flat angles P-C4'-P energy: -13.529
tors. eta vs tors. theta energy: -21.870
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 497
Temperature: 1.050000
Total energy: -270.504263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.504263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.504263 (E_RNA)
where:
Base-Base interactions energy: -178.736
where: short stacking energy: -88.487
Base-Backbone interact. energy: -0.970
local terms energy: -90.797720
where:
bonds (distance) C4'-P energy: -14.972
bonds (distance) P-C4' energy: -19.093
flat angles C4'-P-C4' energy: -23.711
flat angles P-C4'-P energy: -10.066
tors. eta vs tors. theta energy: -22.956
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 497
Temperature: 1.100000
Total energy: -245.046852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.046852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.046852 (E_RNA)
where:
Base-Base interactions energy: -155.665
where: short stacking energy: -72.016
Base-Backbone interact. energy: 0.241
local terms energy: -89.623490
where:
bonds (distance) C4'-P energy: -21.176
bonds (distance) P-C4' energy: -22.245
flat angles C4'-P-C4' energy: -20.338
flat angles P-C4'-P energy: -11.948
tors. eta vs tors. theta energy: -13.917
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 497
Temperature: 1.150000
Total energy: -239.809635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.809635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.809635 (E_RNA)
where:
Base-Base interactions energy: -155.397
where: short stacking energy: -72.602
Base-Backbone interact. energy: -0.271
local terms energy: -84.141892
where:
bonds (distance) C4'-P energy: -20.002
bonds (distance) P-C4' energy: -15.849
flat angles C4'-P-C4' energy: -15.880
flat angles P-C4'-P energy: -15.611
tors. eta vs tors. theta energy: -16.800
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 497
Temperature: 1.200000
Total energy: -218.052552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.052552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.052552 (E_RNA)
where:
Base-Base interactions energy: -155.263
where: short stacking energy: -75.154
Base-Backbone interact. energy: 1.497
local terms energy: -64.286604
where:
bonds (distance) C4'-P energy: -6.040
bonds (distance) P-C4' energy: -16.224
flat angles C4'-P-C4' energy: -19.188
flat angles P-C4'-P energy: -11.173
tors. eta vs tors. theta energy: -11.661
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 497
Temperature: 1.250000
Total energy: -228.335924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.335924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.335924 (E_RNA)
where:
Base-Base interactions energy: -156.446
where: short stacking energy: -62.754
Base-Backbone interact. energy: -0.382
local terms energy: -71.507389
where:
bonds (distance) C4'-P energy: -19.745
bonds (distance) P-C4' energy: -16.204
flat angles C4'-P-C4' energy: -10.500
flat angles P-C4'-P energy: -9.907
tors. eta vs tors. theta energy: -15.152
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 497
Temperature: 1.300000
Total energy: -218.592261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.592261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.592261 (E_RNA)
where:
Base-Base interactions energy: -157.461
where: short stacking energy: -68.827
Base-Backbone interact. energy: -0.067
local terms energy: -61.063760
where:
bonds (distance) C4'-P energy: -5.970
bonds (distance) P-C4' energy: -15.909
flat angles C4'-P-C4' energy: -17.072
flat angles P-C4'-P energy: -10.723
tors. eta vs tors. theta energy: -11.389
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 497
Temperature: 1.350000
Total energy: -210.797531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.797531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.797531 (E_RNA)
where:
Base-Base interactions energy: -134.991
where: short stacking energy: -59.182
Base-Backbone interact. energy: -0.619
local terms energy: -75.187733
where:
bonds (distance) C4'-P energy: -14.052
bonds (distance) P-C4' energy: -20.531
flat angles C4'-P-C4' energy: -22.256
flat angles P-C4'-P energy: -6.161
tors. eta vs tors. theta energy: -12.187
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 498
Temperature: 0.900000
Total energy: -345.776797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.776797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.776797 (E_RNA)
where:
Base-Base interactions energy: -248.230
where: short stacking energy: -96.063
Base-Backbone interact. energy: -0.438
local terms energy: -97.109371
where:
bonds (distance) C4'-P energy: -18.755
bonds (distance) P-C4' energy: -22.884
flat angles C4'-P-C4' energy: -21.727
flat angles P-C4'-P energy: -13.983
tors. eta vs tors. theta energy: -19.759
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 498
Temperature: 0.950000
Total energy: -325.749316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.749316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.749316 (E_RNA)
where:
Base-Base interactions energy: -223.385
where: short stacking energy: -88.590
Base-Backbone interact. energy: -0.790
local terms energy: -101.573447
where:
bonds (distance) C4'-P energy: -21.479
bonds (distance) P-C4' energy: -20.576
flat angles C4'-P-C4' energy: -22.000
flat angles P-C4'-P energy: -11.618
tors. eta vs tors. theta energy: -25.901
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 498
Temperature: 1.000000
Total energy: -343.373133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.373133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.373133 (E_RNA)
where:
Base-Base interactions energy: -240.769
where: short stacking energy: -104.228
Base-Backbone interact. energy: -0.392
local terms energy: -102.212854
where:
bonds (distance) C4'-P energy: -20.047
bonds (distance) P-C4' energy: -21.733
flat angles C4'-P-C4' energy: -22.148
flat angles P-C4'-P energy: -14.975
tors. eta vs tors. theta energy: -23.310
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 498
Temperature: 1.050000
Total energy: -264.118739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.118739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.118739 (E_RNA)
where:
Base-Base interactions energy: -181.382
where: short stacking energy: -89.877
Base-Backbone interact. energy: -0.364
local terms energy: -82.373533
where:
bonds (distance) C4'-P energy: -13.312
bonds (distance) P-C4' energy: -21.038
flat angles C4'-P-C4' energy: -19.708
flat angles P-C4'-P energy: -10.282
tors. eta vs tors. theta energy: -18.034
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 498
Temperature: 1.100000
Total energy: -245.226678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.226678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.226678 (E_RNA)
where:
Base-Base interactions energy: -165.258
where: short stacking energy: -86.148
Base-Backbone interact. energy: -0.143
local terms energy: -79.826294
where:
bonds (distance) C4'-P energy: -13.745
bonds (distance) P-C4' energy: -22.738
flat angles C4'-P-C4' energy: -18.471
flat angles P-C4'-P energy: -9.976
tors. eta vs tors. theta energy: -14.896
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 498
Temperature: 1.150000
Total energy: -230.906275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.906275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.906275 (E_RNA)
where:
Base-Base interactions energy: -152.001
where: short stacking energy: -61.491
Base-Backbone interact. energy: -0.735
local terms energy: -78.171150
where:
bonds (distance) C4'-P energy: -19.571
bonds (distance) P-C4' energy: -17.990
flat angles C4'-P-C4' energy: -17.012
flat angles P-C4'-P energy: -7.265
tors. eta vs tors. theta energy: -16.334
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 498
Temperature: 1.200000
Total energy: -235.009873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.009873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.009873 (E_RNA)
where:
Base-Base interactions energy: -153.991
where: short stacking energy: -55.563
Base-Backbone interact. energy: 0.145
local terms energy: -81.164211
where:
bonds (distance) C4'-P energy: -20.280
bonds (distance) P-C4' energy: -18.421
flat angles C4'-P-C4' energy: -18.427
flat angles P-C4'-P energy: -15.635
tors. eta vs tors. theta energy: -8.402
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 498
Temperature: 1.250000
Total energy: -228.702907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.702907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.702907 (E_RNA)
where:
Base-Base interactions energy: -149.971
where: short stacking energy: -67.442
Base-Backbone interact. energy: -0.723
local terms energy: -78.009216
where:
bonds (distance) C4'-P energy: -11.633
bonds (distance) P-C4' energy: -20.421
flat angles C4'-P-C4' energy: -17.186
flat angles P-C4'-P energy: -17.094
tors. eta vs tors. theta energy: -11.676
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 498
Temperature: 1.300000
Total energy: -219.458271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.458271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.458271 (E_RNA)
where:
Base-Base interactions energy: -141.589
where: short stacking energy: -65.909
Base-Backbone interact. energy: -0.353
local terms energy: -77.516035
where:
bonds (distance) C4'-P energy: -19.708
bonds (distance) P-C4' energy: -13.893
flat angles C4'-P-C4' energy: -18.424
flat angles P-C4'-P energy: -10.886
tors. eta vs tors. theta energy: -14.605
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 498
Temperature: 1.350000
Total energy: -212.898717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.898717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.898717 (E_RNA)
where:
Base-Base interactions energy: -149.163
where: short stacking energy: -55.596
Base-Backbone interact. energy: -0.086
local terms energy: -63.649974
where:
bonds (distance) C4'-P energy: -9.018
bonds (distance) P-C4' energy: -13.455
flat angles C4'-P-C4' energy: -16.587
flat angles P-C4'-P energy: -12.658
tors. eta vs tors. theta energy: -11.933
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 499
Temperature: 0.900000
Total energy: -340.217574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.217574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.217574 (E_RNA)
where:
Base-Base interactions energy: -236.970
where: short stacking energy: -99.447
Base-Backbone interact. energy: -0.618
local terms energy: -102.629019
where:
bonds (distance) C4'-P energy: -21.715
bonds (distance) P-C4' energy: -23.148
flat angles C4'-P-C4' energy: -18.708
flat angles P-C4'-P energy: -11.617
tors. eta vs tors. theta energy: -27.441
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 499
Temperature: 0.950000
Total energy: -338.410504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.410504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.410504 (E_RNA)
where:
Base-Base interactions energy: -238.577
where: short stacking energy: -93.050
Base-Backbone interact. energy: -0.296
local terms energy: -99.537314
where:
bonds (distance) C4'-P energy: -19.264
bonds (distance) P-C4' energy: -21.622
flat angles C4'-P-C4' energy: -19.165
flat angles P-C4'-P energy: -15.800
tors. eta vs tors. theta energy: -23.686
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 499
Temperature: 1.000000
Total energy: -322.058443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.058443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.058443 (E_RNA)
where:
Base-Base interactions energy: -223.910
where: short stacking energy: -87.751
Base-Backbone interact. energy: -1.279
local terms energy: -96.870024
where:
bonds (distance) C4'-P energy: -16.027
bonds (distance) P-C4' energy: -19.010
flat angles C4'-P-C4' energy: -21.392
flat angles P-C4'-P energy: -14.527
tors. eta vs tors. theta energy: -25.914
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 499
Temperature: 1.050000
Total energy: -272.285869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.285869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.285869 (E_RNA)
where:
Base-Base interactions energy: -171.966
where: short stacking energy: -94.062
Base-Backbone interact. energy: -0.003
local terms energy: -100.316845
where:
bonds (distance) C4'-P energy: -19.596
bonds (distance) P-C4' energy: -17.425
flat angles C4'-P-C4' energy: -20.162
flat angles P-C4'-P energy: -17.324
tors. eta vs tors. theta energy: -25.809
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 499
Temperature: 1.100000
Total energy: -258.065643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.065643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.065643 (E_RNA)
where:
Base-Base interactions energy: -174.464
where: short stacking energy: -87.622
Base-Backbone interact. energy: -0.146
local terms energy: -83.456202
where:
bonds (distance) C4'-P energy: -19.185
bonds (distance) P-C4' energy: -20.495
flat angles C4'-P-C4' energy: -15.066
flat angles P-C4'-P energy: -7.216
tors. eta vs tors. theta energy: -21.494
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 499
Temperature: 1.150000
Total energy: -256.275376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.275376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.275376 (E_RNA)
where:
Base-Base interactions energy: -161.470
where: short stacking energy: -67.981
Base-Backbone interact. energy: -0.307
local terms energy: -94.498461
where:
bonds (distance) C4'-P energy: -21.405
bonds (distance) P-C4' energy: -22.194
flat angles C4'-P-C4' energy: -19.996
flat angles P-C4'-P energy: -13.797
tors. eta vs tors. theta energy: -17.107
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 499
Temperature: 1.200000
Total energy: -231.495069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.495069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.495069 (E_RNA)
where:
Base-Base interactions energy: -158.930
where: short stacking energy: -86.988
Base-Backbone interact. energy: -0.032
local terms energy: -72.533896
where:
bonds (distance) C4'-P energy: -11.224
bonds (distance) P-C4' energy: -9.470
flat angles C4'-P-C4' energy: -19.454
flat angles P-C4'-P energy: -11.466
tors. eta vs tors. theta energy: -20.921
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 499
Temperature: 1.250000
Total energy: -229.157241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.157241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.157241 (E_RNA)
where:
Base-Base interactions energy: -154.559
where: short stacking energy: -72.969
Base-Backbone interact. energy: -0.238
local terms energy: -74.360270
where:
bonds (distance) C4'-P energy: -19.865
bonds (distance) P-C4' energy: -9.825
flat angles C4'-P-C4' energy: -15.403
flat angles P-C4'-P energy: -11.867
tors. eta vs tors. theta energy: -17.401
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 499
Temperature: 1.300000
Total energy: -224.346337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.346337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.346337 (E_RNA)
where:
Base-Base interactions energy: -142.256
where: short stacking energy: -66.329
Base-Backbone interact. energy: -0.134
local terms energy: -81.956494
where:
bonds (distance) C4'-P energy: -21.080
bonds (distance) P-C4' energy: -15.516
flat angles C4'-P-C4' energy: -19.093
flat angles P-C4'-P energy: -12.004
tors. eta vs tors. theta energy: -14.264
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 499
Temperature: 1.350000
Total energy: -198.030296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.030296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.030296 (E_RNA)
where:
Base-Base interactions energy: -138.030
where: short stacking energy: -58.121
Base-Backbone interact. energy: -0.007
local terms energy: -59.993575
where:
bonds (distance) C4'-P energy: -17.069
bonds (distance) P-C4' energy: -15.681
flat angles C4'-P-C4' energy: -15.081
flat angles P-C4'-P energy: -10.443
tors. eta vs tors. theta energy: -1.719
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 500
Temperature: 0.900000
Total energy: -349.648938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.648938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.648938 (E_RNA)
where:
Base-Base interactions energy: -248.959
where: short stacking energy: -103.054
Base-Backbone interact. energy: -0.060
local terms energy: -100.629023
where:
bonds (distance) C4'-P energy: -18.627
bonds (distance) P-C4' energy: -20.945
flat angles C4'-P-C4' energy: -20.014
flat angles P-C4'-P energy: -16.072
tors. eta vs tors. theta energy: -24.970
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 500
Temperature: 0.950000
Total energy: -337.499071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.499071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.499071 (E_RNA)
where:
Base-Base interactions energy: -235.559
where: short stacking energy: -97.513
Base-Backbone interact. energy: -0.512
local terms energy: -101.427948
where:
bonds (distance) C4'-P energy: -17.477
bonds (distance) P-C4' energy: -19.800
flat angles C4'-P-C4' energy: -21.407
flat angles P-C4'-P energy: -14.161
tors. eta vs tors. theta energy: -28.583
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 500
Temperature: 1.000000
Total energy: -320.068558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.068558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.068558 (E_RNA)
where:
Base-Base interactions energy: -233.165
where: short stacking energy: -98.879
Base-Backbone interact. energy: 1.092
local terms energy: -87.995881
where:
bonds (distance) C4'-P energy: -18.752
bonds (distance) P-C4' energy: -13.328
flat angles C4'-P-C4' energy: -19.443
flat angles P-C4'-P energy: -14.903
tors. eta vs tors. theta energy: -21.569
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 500
Temperature: 1.050000
Total energy: -261.242529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.242529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.242529 (E_RNA)
where:
Base-Base interactions energy: -176.828
where: short stacking energy: -86.359
Base-Backbone interact. energy: -0.401
local terms energy: -84.013420
where:
bonds (distance) C4'-P energy: -16.978
bonds (distance) P-C4' energy: -16.533
flat angles C4'-P-C4' energy: -15.962
flat angles P-C4'-P energy: -9.736
tors. eta vs tors. theta energy: -24.804
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 500
Temperature: 1.100000
Total energy: -262.309965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.309965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.309965 (E_RNA)
where:
Base-Base interactions energy: -175.795
where: short stacking energy: -71.948
Base-Backbone interact. energy: -0.116
local terms energy: -86.399468
where:
bonds (distance) C4'-P energy: -16.896
bonds (distance) P-C4' energy: -18.576
flat angles C4'-P-C4' energy: -17.664
flat angles P-C4'-P energy: -16.522
tors. eta vs tors. theta energy: -16.740
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 500
Temperature: 1.150000
Total energy: -239.411447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.411447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.411447 (E_RNA)
where:
Base-Base interactions energy: -166.625
where: short stacking energy: -60.892
Base-Backbone interact. energy: 0.953
local terms energy: -73.738689
where:
bonds (distance) C4'-P energy: -13.489
bonds (distance) P-C4' energy: -16.172
flat angles C4'-P-C4' energy: -15.484
flat angles P-C4'-P energy: -17.155
tors. eta vs tors. theta energy: -11.439
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 500
Temperature: 1.200000
Total energy: -230.011174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.011174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.011174 (E_RNA)
where:
Base-Base interactions energy: -150.043
where: short stacking energy: -66.654
Base-Backbone interact. energy: -0.263
local terms energy: -79.704304
where:
bonds (distance) C4'-P energy: -14.082
bonds (distance) P-C4' energy: -17.204
flat angles C4'-P-C4' energy: -19.062
flat angles P-C4'-P energy: -14.503
tors. eta vs tors. theta energy: -14.853
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 500
Temperature: 1.250000
Total energy: -216.283341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.283341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.283341 (E_RNA)
where:
Base-Base interactions energy: -138.917
where: short stacking energy: -70.310
Base-Backbone interact. energy: -0.937
local terms energy: -76.429411
where:
bonds (distance) C4'-P energy: -14.935
bonds (distance) P-C4' energy: -20.368
flat angles C4'-P-C4' energy: -16.644
flat angles P-C4'-P energy: -14.282
tors. eta vs tors. theta energy: -10.201
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 500
Temperature: 1.300000
Total energy: -258.166949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.166949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.166949 (E_RNA)
where:
Base-Base interactions energy: -171.672
where: short stacking energy: -92.991
Base-Backbone interact. energy: -0.733
local terms energy: -85.761785
where:
bonds (distance) C4'-P energy: -15.158
bonds (distance) P-C4' energy: -16.876
flat angles C4'-P-C4' energy: -19.555
flat angles P-C4'-P energy: -12.140
tors. eta vs tors. theta energy: -22.033
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 500
Temperature: 1.350000
Total energy: -187.903190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.903190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.903190 (E_RNA)
where:
Base-Base interactions energy: -119.266
where: short stacking energy: -49.244
Base-Backbone interact. energy: -0.281
local terms energy: -68.355358
where:
bonds (distance) C4'-P energy: -16.881
bonds (distance) P-C4' energy: -21.200
flat angles C4'-P-C4' energy: -14.440
flat angles P-C4'-P energy: -9.617
tors. eta vs tors. theta energy: -6.218
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 501
Temperature: 0.900000
Total energy: -351.331308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.331308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.331308 (E_RNA)
where:
Base-Base interactions energy: -254.310
where: short stacking energy: -100.422
Base-Backbone interact. energy: -0.142
local terms energy: -96.878916
where:
bonds (distance) C4'-P energy: -17.464
bonds (distance) P-C4' energy: -23.296
flat angles C4'-P-C4' energy: -20.261
flat angles P-C4'-P energy: -14.303
tors. eta vs tors. theta energy: -21.555
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 501
Temperature: 0.950000
Total energy: -340.207655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.207655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.207655 (E_RNA)
where:
Base-Base interactions energy: -252.273
where: short stacking energy: -102.547
Base-Backbone interact. energy: -0.328
local terms energy: -87.607213
where:
bonds (distance) C4'-P energy: -17.842
bonds (distance) P-C4' energy: -17.345
flat angles C4'-P-C4' energy: -17.428
flat angles P-C4'-P energy: -9.407
tors. eta vs tors. theta energy: -25.586
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 501
Temperature: 1.000000
Total energy: -328.319491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.319491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.319491 (E_RNA)
where:
Base-Base interactions energy: -229.566
where: short stacking energy: -91.088
Base-Backbone interact. energy: 0.085
local terms energy: -98.838432
where:
bonds (distance) C4'-P energy: -15.656
bonds (distance) P-C4' energy: -22.409
flat angles C4'-P-C4' energy: -18.535
flat angles P-C4'-P energy: -16.942
tors. eta vs tors. theta energy: -25.297
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 501
Temperature: 1.050000
Total energy: -278.121693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.121693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.121693 (E_RNA)
where:
Base-Base interactions energy: -193.606
where: short stacking energy: -84.762
Base-Backbone interact. energy: -0.038
local terms energy: -84.478300
where:
bonds (distance) C4'-P energy: -16.279
bonds (distance) P-C4' energy: -18.738
flat angles C4'-P-C4' energy: -19.011
flat angles P-C4'-P energy: -11.637
tors. eta vs tors. theta energy: -18.814
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 501
Temperature: 1.100000
Total energy: -249.891104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.891104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.891104 (E_RNA)
where:
Base-Base interactions energy: -159.099
where: short stacking energy: -83.503
Base-Backbone interact. energy: -0.002
local terms energy: -90.790518
where:
bonds (distance) C4'-P energy: -13.035
bonds (distance) P-C4' energy: -21.595
flat angles C4'-P-C4' energy: -19.118
flat angles P-C4'-P energy: -13.467
tors. eta vs tors. theta energy: -23.576
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 501
Temperature: 1.150000
Total energy: -237.273501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.273501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.273501 (E_RNA)
where:
Base-Base interactions energy: -156.267
where: short stacking energy: -68.853
Base-Backbone interact. energy: -0.712
local terms energy: -80.293793
where:
bonds (distance) C4'-P energy: -18.545
bonds (distance) P-C4' energy: -15.140
flat angles C4'-P-C4' energy: -21.518
flat angles P-C4'-P energy: -11.976
tors. eta vs tors. theta energy: -13.115
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 501
Temperature: 1.200000
Total energy: -236.740194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.740194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.740194 (E_RNA)
where:
Base-Base interactions energy: -157.772
where: short stacking energy: -62.791
Base-Backbone interact. energy: -0.167
local terms energy: -78.801858
where:
bonds (distance) C4'-P energy: -15.891
bonds (distance) P-C4' energy: -19.764
flat angles C4'-P-C4' energy: -18.403
flat angles P-C4'-P energy: -12.741
tors. eta vs tors. theta energy: -12.002
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 501
Temperature: 1.250000
Total energy: -220.465888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.465888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.465888 (E_RNA)
where:
Base-Base interactions energy: -145.612
where: short stacking energy: -55.109
Base-Backbone interact. energy: -0.003
local terms energy: -74.850205
where:
bonds (distance) C4'-P energy: -16.050
bonds (distance) P-C4' energy: -18.394
flat angles C4'-P-C4' energy: -15.103
flat angles P-C4'-P energy: -12.283
tors. eta vs tors. theta energy: -13.020
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 501
Temperature: 1.300000
Total energy: -209.708567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.708567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.708567 (E_RNA)
where:
Base-Base interactions energy: -138.069
where: short stacking energy: -67.540
Base-Backbone interact. energy: 0.675
local terms energy: -72.315339
where:
bonds (distance) C4'-P energy: -18.341
bonds (distance) P-C4' energy: -16.018
flat angles C4'-P-C4' energy: -17.288
flat angles P-C4'-P energy: -10.514
tors. eta vs tors. theta energy: -10.154
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 501
Temperature: 1.350000
Total energy: -210.330970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.330970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.330970 (E_RNA)
where:
Base-Base interactions energy: -146.635
where: short stacking energy: -59.432
Base-Backbone interact. energy: -0.183
local terms energy: -63.513348
where:
bonds (distance) C4'-P energy: -12.831
bonds (distance) P-C4' energy: -9.623
flat angles C4'-P-C4' energy: -14.283
flat angles P-C4'-P energy: -13.801
tors. eta vs tors. theta energy: -12.976
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
replica 1 ended at temp. level: 1, temp: 0.900000
for this replica:
moves confirmed at first: 12568794
moves confirmed later: 13489338
all moves confirmed: 26058132
percent of confirmed moves: 3.257267
current total energy: -298.972701
recalc. total energy: -298.972701
replica 10 ended at temp. level: 2, temp: 0.950000
for this replica:
moves confirmed at first: 18565941
moves confirmed later: 21479991
all moves confirmed: 40045932
percent of confirmed moves: 5.005742
current total energy: -288.313279
recalc. total energy: -288.313279
replica 9 ended at temp. level: 3, temp: 1.000000
for this replica:
moves confirmed at first: 16894303
moves confirmed later: 19067400
all moves confirmed: 35961703
percent of confirmed moves: 4.495213
current total energy: -302.020660
recalc. total energy: -302.020660
replica 3 ended at temp. level: 4, temp: 1.050000
for this replica:
moves confirmed at first: 16611469
moves confirmed later: 18558784
all moves confirmed: 35170253
percent of confirmed moves: 4.396282
current total energy: -232.068940
recalc. total energy: -232.068940
replica 4 ended at temp. level: 5, temp: 1.100000
for this replica:
moves confirmed at first: 28060355
moves confirmed later: 33860808
all moves confirmed: 61921163
percent of confirmed moves: 7.740145
current total energy: -202.642199
recalc. total energy: -202.642199
replica 2 ended at temp. level: 6, temp: 1.150000
for this replica:
moves confirmed at first: 20209364
moves confirmed later: 23806430
all moves confirmed: 44015794
percent of confirmed moves: 5.501974
current total energy: -200.506421
recalc. total energy: -200.506421
replica 5 ended at temp. level: 7, temp: 1.200000
for this replica:
moves confirmed at first: 21538340
moves confirmed later: 25567552
all moves confirmed: 47105892
percent of confirmed moves: 5.888236
current total energy: -211.401596
recalc. total energy: -211.401596
replica 8 ended at temp. level: 8, temp: 1.250000
for this replica:
moves confirmed at first: 21965603
moves confirmed later: 25812143
all moves confirmed: 47777746
percent of confirmed moves: 5.972218
current total energy: -143.102431
recalc. total energy: -143.102431
replica 6 ended at temp. level: 9, temp: 1.300000
for this replica:
moves confirmed at first: 29871144
moves confirmed later: 36272695
all moves confirmed: 66143839
percent of confirmed moves: 8.267980
current total energy: -107.766296
recalc. total energy: -107.766296
replica 7 ended at temp. level: 10, temp: 1.350000
for this replica:
moves confirmed at first: 23259617
moves confirmed later: 27556382
all moves confirmed: 50815999
percent of confirmed moves: 6.352000
current total energy: -173.120459
recalc. total energy: -173.120459
out arg RESULTS//1/test-0207f876_01
Time of doing 8000000 iterations: 3650.759 seconds